(1S,2S)-2-aminocyclopentane-1-carboxylic acid hydrochloride

• ChemBase ID: 164791
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: C1[C@@H]([C@H](CC1)C(=O)O)N.Cl
• Canonical SMILES: N[C@H]1CCC[C@@H]1C(=O)O.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c7-5-3-1-2-4(5)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H/t4-,5-;/m0./s1
• InChIKey: LVBDVNLIEHCCTP-FHAQVOQBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S)-2-aminocyclopentane-1-carboxylic acid hydrochloride
• IUPAC Traditional name: (1S,2S)-2-aminocyclopentane-1-carboxylic acid hydrochloride
• Synonyms: (1R,2S)-2-Amino-cyclopentanecarboxylic Acid Hydrochloride; (-)-(1R,2S)-Cispentacin Hydrochloride; (-)-Cispentacin Hydrochloride; Antibiotic FR 109615 Hydrochloride; FR 109615; cis-(1R,2S)-2-Aminocyclopentane-1-carboxylic Acid Hydrochloride; (1R,2S)-Cispentacin Hydrochloride

Database IDs

• CAS Number: 128110-37-2
• PubChem SID: 162258926
• PubChem CID: 56971751

CALCULATED PROPERTIES

• Acid pKa: 4.0617466
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1675172
• LogD (pH = 7.4): -2.155075
• Log P: -2.155163
• Molar Refractivity: 32.4179 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C497500

An antifungal antibiotic.

REFERENCES

• Im, C., et al.: Antibiot, 47, 1030 (1994)
• Genin, M., et al.: J. Med. Chem., 43, 953 (1994)
• Naud, J., et al.: Bioorg. Med. Chem. Lett., 18, 3400 (1994)