2-(morpholin-2-yl)acetic acid

• ChemBase ID: 308415
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: C(=O)(CC1OCCNC1)O
• Canonical SMILES: OC(=O)CC1CNCCO1
• InChI: InChI=1S/C6H11NO3/c8-6(9)3-5-4-7-1-2-10-5/h5,7H,1-4H2,(H,8,9)
• InChIKey: TWCXRVFSIAWFMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-2-yl)acetic acid
• IUPAC Traditional name: morpholin-2-ylacetic acid
• Synonyms: 2-morpholinylacetic acid

Database IDs

• CAS Number: 180863-27-8
• MDL Number: MFCD04038685

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1182837
• LogD (pH = 7.4): -3.1251283
• Log P: -3.1097333
• Molar Refractivity: 34.2221 cm^3
• Polarizability: 13.865244 Å^3
• Polar Surface Area: 58.56 Å^2