[(2-methoxyethyl)carbamoyl]formic acid

• ChemBase ID: 263529
• Molecular Formular: C5H9NO4
• Molecular Mass: 147.12926
• Monoisotopic Mass: 147.05315777
• SMILES: C(=O)(C(=O)O)NCCOC
• Canonical SMILES: COCCNC(=O)C(=O)O
• InChI: InChI=1S/C5H9NO4/c1-10-3-2-6-4(7)5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
• InChIKey: XUQDDHNFRFFREK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyethyl)carbamoyl]formic acid
• IUPAC Traditional name: [(2-methoxyethyl)carbamoyl]formic acid
• Synonyms: [(2-methoxyethyl)carbamoyl]formic acid

Database IDs

• MDL Number: MFCD10018382
• PubChem SID: 164319439
• PubChem CID: 16112027

CALCULATED PROPERTIES

• Acid pKa: 2.9012282
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.4544125
• LogD (pH = 7.4): -4.3801365
• Log P: -0.8939936
• Molar Refractivity: 32.201 cm^3
• Polarizability: 12.569761 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.317

Product Information

• Purity: 95%