ethyl 2-(3-aminopropanamido)acetate hydrochloride

• ChemBase ID: 246683
• Molecular Formular: C7H15ClN2O3
• Molecular Mass: 210.6586
• Monoisotopic Mass: 210.07712003
• SMILES: C(=O)(NCC(=O)OCC)CCN.Cl
• Canonical SMILES: NCCC(=O)NCC(=O)OCC.Cl
• InChI: InChI=1S/C7H14N2O3.ClH/c1-2-12-7(11)5-9-6(10)3-4-8;/h2-5,8H2,1H3,(H,9,10);1H
• InChIKey: GDWIXNDCYFQUKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(3-aminopropanamido)acetate hydrochloride
• IUPAC Traditional name: ethyl 2-(3-aminopropanamido)acetate hydrochloride
• Synonyms: ethyl 2-(3-aminopropanamido)acetate hydrochloride

Database IDs

• PubChem SID: 164302593
• PubChem CID: 71758049

CALCULATED PROPERTIES

• Acid pKa: 12.768174
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.447137
• LogD (pH = 7.4): -3.2245536
• Log P: -1.513044
• Molar Refractivity: 43.024 cm^3
• Polarizability: 17.190205 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.512

Product Information

• Purity: 95%