3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid

• ChemBase ID: 309979
• Molecular Formular: C6H8N2O4
• Molecular Mass: 172.13872
• Monoisotopic Mass: 172.04840675
• SMILES: N1C(=O)N[C@H](C1=O)CCC(=O)O
• Canonical SMILES: OC(=O)CC[C@@H]1NC(=O)NC1=O
• InChI: InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/t3-/m0/s1
• InChIKey: VWFWNXQAMGDPGG-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid
• IUPAC Traditional name: 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid
• Synonyms: 3-[(4S)-2,5-dioxo-4-imidazolidinyl]propanoic acid

Database IDs

• MDL Number: MFCD20642114

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.8207612
• LogD (pH = 7.4): -4.438844
• Log P: -1.234607
• Molar Refractivity: 36.3304 cm^3
• Polarizability: 14.265914 Å^3
• Polar Surface Area: 95.5 Å^2