ethyl 2-{[1-(2-phenylacetyl)pyrrolidin-2-yl]formamido}acetate

• ChemBase ID: 128650
• Molecular Formular: C17H22N2O4
• Molecular Mass: 318.36758
• Monoisotopic Mass: 318.15795719
• SMILES: c1ccccc1CC(=O)N1CCCC1C(=O)NCC(=O)OCC
• Canonical SMILES: CCOC(=O)CNC(=O)C1CCCN1C(=O)Cc1ccccc1
• InChI: InChI=1S/C17H22N2O4/c1-2-23-16(21)12-18-17(22)14-9-6-10-19(14)15(20)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)
• InChIKey: PJNSMUBMSNAEEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{[1-(2-phenylacetyl)pyrrolidin-2-yl]formamido}acetate
• IUPAC Traditional name: noopept
• Synonyms: Noopept

Database IDs

• CAS Number: 157115-85-0
• PubChem SID: 162222957
• PubChem CID: 180496; 45926902
• Wikipedia Title: Noopept

CALCULATED PROPERTIES

• Acid pKa: 12.482511
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7445594
• LogD (pH = 7.4): 0.74455625
• Log P: 0.74455947
• Molar Refractivity: 84.6733 cm^3
• Polarizability: 33.06669 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: legal