methyl 3-(3-amino-2-oxopyrrolidin-1-yl)propanoate hydrochloride

• ChemBase ID: 245577
• Molecular Formular: C8H15ClN2O3
• Molecular Mass: 222.6693
• Monoisotopic Mass: 222.07712003
• SMILES: C1(=O)N(CCC(=O)OC)CCC1N.Cl
• Canonical SMILES: COC(=O)CCN1CCC(C1=O)N.Cl
• InChI: InChI=1S/C8H14N2O3.ClH/c1-13-7(11)3-5-10-4-2-6(9)8(10)12;/h6H,2-5,9H2,1H3;1H
• InChIKey: NBIGMRVGVRLXAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(3-amino-2-oxopyrrolidin-1-yl)propanoate hydrochloride
• IUPAC Traditional name: methyl 3-(3-amino-2-oxopyrrolidin-1-yl)propanoate hydrochloride
• Synonyms: methyl 3-(3-amino-2-oxopyrrolidin-1-yl)propanoate hydrochloride

Database IDs

• MDL Number: MFCD23144094
• PubChem SID: 164301487
• PubChem CID: 71757742

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2036805
• LogD (pH = 7.4): -2.5783355
• Log P: -1.5457848
• Molar Refractivity: 45.8138 cm^3
• Polarizability: 18.306417 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.497

Product Information

• Purity: 95%