(2S)-N-(4-methyl-2-oxo-2H-chromen-7-yl)pyrrolidine-2-carboxamide

• ChemBase ID: 106392
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: Cc1cc(=O)oc2c1ccc(NC(=O)[C@H]1NCCC1)c2
• Canonical SMILES: O=C([C@@H]1CCCN1)Nc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C15H16N2O3/c1-9-7-14(18)20-13-8-10(4-5-11(9)13)17-15(19)12-3-2-6-16-12/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,19)/t12-/m0/s1
• InChIKey: HSLXTZWJAHQHHF-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N-(4-methyl-2-oxo-2H-chromen-7-yl)pyrrolidine-2-carboxamide
• IUPAC Traditional name: (2S)-N-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2-carboxamide
• Synonyms: L-Pro-AMC; L-P-AMC; L-Pro-7-Amino-4-Methylcoumarin

Database IDs

• PubChem SID: 162105432
• PubChem CID: 2733765

CALCULATED PROPERTIES

• Acid pKa: 13.042556
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7196808
• LogD (pH = 7.4): -0.5914969
• Log P: 1.4466689
• Molar Refractivity: 76.1142 cm^3
• Polarizability: 28.746956 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true