ethyl N-(2-amino-1-cyclopropylethyl)carbamate

• ChemBase ID: 275255
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: C(=O)(NC(C1CC1)CN)OCC
• Canonical SMILES: CCOC(=O)NC(C1CC1)CN
• InChI: InChI=1S/C8H16N2O2/c1-2-12-8(11)10-7(5-9)6-3-4-6/h6-7H,2-5,9H2,1H3,(H,10,11)
• InChIKey: LXAQQDNQIQVNMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(2-amino-1-cyclopropylethyl)carbamate
• IUPAC Traditional name: ethyl N-(2-amino-1-cyclopropylethyl)carbamate
• Synonyms: ethyl N-(2-amino-1-cyclopropylethyl)carbamate

Database IDs

• MDL Number: MFCD16707023
• PubChem SID: 164331165
• PubChem CID: 54593601

CALCULATED PROPERTIES

• Acid pKa: 14.817547
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.730882
• LogD (pH = 7.4): -1.5448105
• Log P: 0.21284737
• Molar Refractivity: 45.2968 cm^3
• Polarizability: 18.182564 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.632

Product Information

• Purity: 95%