1-(Boc-amino)cyclopropanecarboxylic acid - ≥98%(HPLC) , CAS No.88950-64-5

CAS: 88950-64-5 Cat. No.: W134775 Molecular Weight: 201.22 Beilstein Registry Number: 4430628 EC Number: 618-224-8 PubChem CID: 688396

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-(N-tert-butoxycarbonylamino)cyclopropanecarboxylic acid | SB39637 | 1-((tert-butoxycarbonyl)amino) cyclopropanecarboxylic acid | 1-(Boc-amino)cyclopropanecarboxylicacid | 1-tert-butoxycarbonylamino-1-cyclopropanecarboxylic acid | B-4651 | IDI1_017596 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1-(N-tert-butoxycarbonylamino)cyclopropanecarboxylic acid | SB39637 | 1-((tert-butoxycarbonyl)amino) cyclopropanecarboxylic acid | 1-(Boc-amino)cyclopropanecarboxylicacid | 1-tert-butoxycarbonylamino-1-cyclopropanecarboxylic acid | B-4651 | IDI1_017596 |

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488191118
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191118
• Canonical Smiles: CC(C)(C)OC(=O)NC1(CC1)C(=O)O
• IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
• InChIKey: DSKCOVBHIFAJRI-UHFFFAOYSA-N
• INCHI: 1S/C9H15NO4/c1-8(2,3)14-7(13)10-9(4-5-9)6(11)12/h4-5H2,1-3H3,(H,10,13)(H,11,12)
• Isomeric SMILES: CC(C)(C)OC(=O)NC1(CC1)C(=O)O
• WGK Germany: 3
• PubChem CID: 688396
• Molecular Weight: 201.22
• Beilstein: 4430628

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Cyclopropanecarboxylic acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Chemical and Physical Properties

• Sensitivity: air sensitive;heat sensitive
• Melt Point(°C): 174 °C
• Molecular Weight: 201.220 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 201.1 Da
• Monoisotopic Mass: 201.1 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 262.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1