(2R)-2-amino-3-cyclopropylpropanoic acid

• ChemBase ID: 286757
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: O=C(O)[C@H](N)CC1CC1
• Canonical SMILES: N[C@@H](C(=O)O)CC1CC1
• InChI: InChI=1S/C6H11NO2/c7-5(6(8)9)3-4-1-2-4/h4-5H,1-3,7H2,(H,8,9)/t5-/m1/s1
• InChIKey: XGUXJMWPVJQIHI-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-cyclopropylpropanoic acid
• IUPAC Traditional name: (2R)-2-amino-3-cyclopropylpropanoic acid
• Synonyms: D-Cyclopropylalinine; (R)-2-Amino-3-cyclopropylpropionic acid; 2-Cyclopropyl-D-alanine; 2-环丙基-D-丙氨酸

Database IDs

• CAS Number: 121786-39-8
• MDL Number: MFCD02259520
• PubChem SID: 180672288
• PubChem CID: 9209421

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 2.5090344
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0505943
• LogD (pH = 7.4): -2.053307
• Log P: -2.0504277
• Molar Refractivity: 32.3687 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 63.32 Å^2

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%; 95+%