cis-4-Hydroxy-L-proline methyl ester hydrochloride - ≥95% , CAS No.40126-30-5

CAS: 40126-30-5 Cat. No.: C135503 Formula: C₆H₁₁NO₃•HCl Peso molecolare: 181.62 Numero EC: 812-070-7

QUALITÀ & PUREZZA ≥95%

Synonyms

rac-methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride | AMY4460 | Methyl cis-4-Hydroxy-L-proline Hydrochloride | Methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride | (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpr

Storage

Room temperature

Shipped In

Normal

Panoramica

Application：
cis-4-Hydroxy-L-proline methyl ester hydrochloride is an Intermediate in pharmaceutical and organic syntheses.

Specifiche

Sinonimi

rac-methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride | AMY4460 | Methyl cis-4-Hydroxy-L-proline Hydrochloride | Methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride | (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpr

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488198251

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198251

Sorrisi canonici

COC(=O)C1CC(CN1)O.Cl

IUPAC Name

methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride

InChIKey

KLGSHNXEUZOKHH-FHAQVOQBSA-N

INCHI

1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5-;/m0./s1

Isomeri SMILES

COC(=O)[C@@H]1C[C@@H](CN1)O.Cl

Peso molecolare

181.62

Reaxy-Rn

4716932

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4716932&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Proline and derivatives Pyrrolidine carboxylic acids Methyl esters Secondary alcohols 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Methyl ester - 1,2-aminoalcohol - Carboxylic acid ester - Secondary alcohol - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Amine - Organic nitrogen compound - Hydrochloride - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 181.620 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 181.051 Da
• Monoisotopic Mass: 181.051 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3