2-[(2-methylcyclopropyl)formamido]acetic acid

• ChemBase ID: 254881
• Molecular Formular: C7H11NO3
• Molecular Mass: 157.16714
• Monoisotopic Mass: 157.07389322
• SMILES: C1(CC1C)C(=O)NCC(=O)O
• Canonical SMILES: CC1CC1C(=O)NCC(=O)O
• InChI: InChI=1S/C7H11NO3/c1-4-2-5(4)7(11)8-3-6(9)10/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
• InChIKey: VARNMFDSVDPUCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methylcyclopropyl)formamido]acetic acid
• IUPAC Traditional name: [(2-methylcyclopropyl)formamido]acetic acid
• Synonyms: {[(2-methylcyclopropyl)carbonyl]amino}acetic acid

Database IDs

• MDL Number: MFCD08443173
• PubChem SID: 164310791
• PubChem CID: 16769926

CALCULATED PROPERTIES

• Acid pKa: 3.9465241
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8227024
• LogD (pH = 7.4): -3.4507494
• Log P: -0.26181364
• Molar Refractivity: 37.395 cm^3
• Polarizability: 14.72032 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.034

Product Information

• Purity: 95%