methyl 3-aminoazetidine-1-carboxylate

• ChemBase ID: 240851
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: N1(C(=O)OC)CC(C1)N
• Canonical SMILES: COC(=O)N1CC(C1)N
• InChI: InChI=1S/C5H10N2O2/c1-9-5(8)7-2-4(6)3-7/h4H,2-3,6H2,1H3
• InChIKey: XEXOFGFFYFCFLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-aminoazetidine-1-carboxylate
• IUPAC Traditional name: methyl 3-aminoazetidine-1-carboxylate
• Synonyms: methyl 3-aminoazetidine-1-carboxylate

Database IDs

• MDL Number: MFCD09263775
• PubChem SID: 164296761
• PubChem CID: 18331259

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7046993
• LogD (pH = 7.4): -2.2448425
• Log P: -0.87238675
• Molar Refractivity: 31.5339 cm^3
• Polarizability: 12.694801 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.131

Product Information

• Purity: 95%