Oxoprolines

Description:

Compounds containing an oxoproline moiety, which consists of a pyrrolidine ring bearing a carboxylic acid group at the ring position 2, and a ketone group.

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  1. Ethyl 5-oxopyrrolidine-3-carboxylate
    CAS: 60298-18-2 PubChem CID: 44890818 Formula: C7H11NO3 Molecular Weight: 157.17
    Liquid ≥95%
    Out of Stock Item #: E770174
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    Technical Identifiers
    IUPAC Name
    ethyl 5-oxopyrrolidine-3-carboxylate
    SMILES
    CCOC(=O)C1CC(=O)NC1
    InChIKey
    QWMPXTNXXREMCK-UHFFFAOYSA-N
    InChI
    1S/C7H11NO3/c1-2-11-7(10)5-3-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9)
  2. Methyl 3-oxopyrrolidine-1-carboxylate
    CAS: 69079-09-0 PubChem CID: 12430955 Formula: C6H9NO3 Molecular Weight: 143.14
    In Stock Item #: M726819
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    Technical Identifiers
    IUPAC Name
    methyl 3-oxopyrrolidine-1-carboxylate
    SMILES
    COC(=O)N1CCC(=O)C1
    InChIKey
    UOTZNSARDKOPCP-UHFFFAOYSA-N
    InChI
    1S/C6H9NO3/c1-10-6(9)7-3-2-5(8)4-7/h2-4H2,1H3
  3. 1-methyl-2-oxopyrrolidine-3-carboxylic acid
    CAS: 30932-84-4 EC Number: 815-496-1 PubChem CID: 14876689 Formula: C6H9NO3 Molecular Weight: 143.14
    Out of Stock Item #: M728122
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    Technical Identifiers
    IUPAC Name
    1-methyl-2-oxopyrrolidine-3-carboxylic acid
    SMILES
    CN1CCC(C1=O)C(=O)O
    InChIKey
    LRQXSOWYUQJAOH-UHFFFAOYSA-N
    InChI
    1S/C6H9NO3/c1-7-3-2-4(5(7)8)6(9)10/h4H,2-3H2,1H3,(H,9,10)
  4. (S)-1-Boc-4-Hydroxy-2-pyrrolidinone
    CAS: 320343-58-6 Formula: C9H15NO4 Molecular Weight: 201.22
    Out of Stock Item #: B731553
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    IUPAC Name
    tert-butyl (4S)-4-hydroxy-2-oxopyrrolidine-1-carboxylate
    SMILES
    CC(C)(C)OC(=O)N1CC(CC1=O)O
    InChIKey
    GUVYWSACSIYEDN-LURJTMIESA-N
    InChI
    1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-6(11)4-7(10)12/h6,11H,4-5H2,1-3H3/t6-/m0/s1
  5. 1-Cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
    CAS: 696647-78-6 PubChem CID: 4777956 Formula: C10H15NO3 Molecular Weight: 197.24
    Out of Stock Item #: C709355
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    IUPAC Name
    1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
    SMILES
    C1CCC(C1)N2CC(CC2=O)C(=O)O
    InChIKey
    DZQZKPNTCXAUKJ-UHFFFAOYSA-N
    InChI
    1S/C10H15NO3/c12-9-5-7(10(13)14)6-11(9)8-3-1-2-4-8/h7-8H,1-6H2,(H,13,14)
  6. 1-Boc-3-fluoro-4-pyrrolidinone
    CAS: 845894-03-3 EC Number: 805-025-8 PubChem CID: 45158916 Formula: C9H14FNO3 Molecular Weight: 203.21
    Solid ≥98%
    Out of Stock Item #: B732486
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    IUPAC Name
    tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
    SMILES
    CC(C)(C)OC(=O)N1CC(C(=O)C1)F
    InChIKey
    HPHVNLXMQXEDFX-UHFFFAOYSA-N
    InChI
    1S/C9H14FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6H,4-5H2,1-3H3
    Synonyms
    1-Boc-4-fluoro-3-pyrrolidinone | tert-Butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
  7. N-Boc-5-methylpyrrolidine-2,4-dione
    CAS: 1450828-51-9 PubChem CID: 76522454 Formula: C10H15NO4 Molecular Weight: 213.23
    Out of Stock Item #: N693169
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    IUPAC Name
    tert-butyl 2-methyl-3,5-dioxopyrrolidine-1-carboxylate
    SMILES
    CC1C(=O)CC(=O)N1C(=O)OC(C)(C)C
    InChIKey
    XLXSMICXDWTYCA-UHFFFAOYSA-N
    InChI
    1S/C10H15NO4/c1-6-7(12)5-8(13)11(6)9(14)15-10(2,3)4/h6H,5H2,1-4H3
  8. Methyl 1-Methyl-2-oxopyrrolidine-3-carboxylate
    CAS: 114724-98-0 PubChem CID: 12646144 Formula: C7H11NO3 Molecular Weight: 157.17
    Out of Stock Item #: M692166
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    Technical Identifiers
    IUPAC Name
    methyl 1-methyl-2-oxopyrrolidine-3-carboxylate
    SMILES
    CN1CCC(C1=O)C(=O)OC
    InChIKey
    NHLKVGYPYLXMBV-UHFFFAOYSA-N
    InChI
    1S/C7H11NO3/c1-8-4-3-5(6(8)9)7(10)11-2/h5H,3-4H2,1-2H3
  9. Methyl 1-Methyl-2-oxopyrrolidine-4-carboxylate
    CAS: 59857-86-2 EC Number: 692-371-6 Formula: C7H11NO3 Molecular Weight: 157.17
    Liquid ≥95%
    Out of Stock Item #: M695495
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    Technical Identifiers
    IUPAC Name
    methyl 1-methyl-5-oxopyrrolidine-3-carboxylate
    SMILES
    CN1CC(CC1=O)C(=O)OC
    InChIKey
    JFZRRXGXEHUJCI-UHFFFAOYSA-N
    InChI
    1S/C7H11NO3/c1-8-4-5(3-6(8)9)7(10)11-2/h5H,3-4H2,1-2H3
  10. Methyl 1-(2-Methoxyethyl)-2-oxopyrrolidine-4-carboxylate
    CAS: 1272755-99-3 PubChem CID: 71651107 Formula: C9H15NO4 Molecular Weight: 201.22
    Out of Stock Item #: M691555
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    Technical Identifiers
    IUPAC Name
    methyl 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
    SMILES
    COCCN1CC(CC1=O)C(=O)OC
    InChIKey
    ZUFRWFKGEMSVJB-UHFFFAOYSA-N
    InChI
    1S/C9H15NO4/c1-13-4-3-10-6-7(5-8(10)11)9(12)14-2/h7H,3-6H2,1-2H3
  11. Methyl 1-(4-methoxybenzyl)-5-oxopyrrolidine-3-carboxylate
    CAS: 149505-71-5 PubChem CID: 4093874 Formula: C14H17NO4 Molecular Weight: 263.28
    Out of Stock Item #: M692411
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    Technical Identifiers
    IUPAC Name
    methyl 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
    SMILES
    COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OC
    InChIKey
    YNIPPRDEXJUZDV-UHFFFAOYSA-N
    InChI
    1S/C14H17NO4/c1-18-12-5-3-10(4-6-12)8-15-9-11(7-13(15)16)14(17)19-2/h3-6,11H,7-9H2,1-2H3
  12. 1-(Furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
    CAS: 175136-93-3 PubChem CID: 2777280 Formula: C10H11NO4 Molecular Weight: 209.19
    Solid ≥98%
    Out of Stock Item #: O700949
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    Technical Identifiers
    IUPAC Name
    1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
    SMILES
    C1C(CN(C1=O)CC2=CC=CO2)C(=O)O
    InChIKey
    NFWHHUCJMAPGHE-UHFFFAOYSA-N
    InChI
    1S/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14)
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