(2S)-1-(carbamoylmethyl)-5-oxopyrrolidine-2-carboxamide

• ChemBase ID: 183772
• Molecular Formular: C7H11N3O3
• Molecular Mass: 185.18054
• Monoisotopic Mass: 185.08004123
• SMILES: N1([C@H](C(=O)N)CCC1=O)CC(=O)N
• Canonical SMILES: NC(=O)CN1C(=O)CC[C@H]1C(=O)N
• InChI: InChI=1S/C7H11N3O3/c8-5(11)3-10-4(7(9)13)1-2-6(10)12/h4H,1-3H2,(H2,8,11)(H2,9,13)/t4-/m0/s1
• InChIKey: LBQFDLRXNAORNL-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-(carbamoylmethyl)-5-oxopyrrolidine-2-carboxamide
• IUPAC Traditional name: (2S)-1-(carbamoylmethyl)-5-oxopyrrolidine-2-carboxamide

Database IDs

• PubChem SID: 164239682
• PubChem CID: 11872664

CALCULATED PROPERTIES

• Acid pKa: 15.378855
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8018956
• LogD (pH = 7.4): -2.8018956
• Log P: -2.8018956
• Molar Refractivity: 42.7135 cm^3
• Polarizability: 16.69099 Å^3
• Polar Surface Area: 106.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds