(cyclopropylcarbamoyl)formic acid

• ChemBase ID: 275264
• Molecular Formular: C5H7NO3
• Molecular Mass: 129.11398
• Monoisotopic Mass: 129.04259309
• SMILES: C(=O)(C(=O)O)NC1CC1
• Canonical SMILES: O=C(C(=O)O)NC1CC1
• InChI: InChI=1S/C5H7NO3/c7-4(5(8)9)6-3-1-2-3/h3H,1-2H2,(H,6,7)(H,8,9)
• InChIKey: OQMQLEHOJCDKHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylcarbamoyl)formic acid
• IUPAC Traditional name: (cyclopropylcarbamoyl)formic acid
• Synonyms: (cyclopropylcarbamoyl)formic acid

Database IDs

• MDL Number: MFCD10018376
• PubChem SID: 164331174
• PubChem CID: 28710294

CALCULATED PROPERTIES

• Acid pKa: 2.8786707
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.969434
• LogD (pH = 7.4): -3.8704512
• Log P: -0.38145357
• Molar Refractivity: 28.3687 cm^3
• Polarizability: 11.10192 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.14

Product Information

• Purity: 95%