2-(4-Methyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
Basic information
- CAS
556080-37-6- Standard SMILES
CC1NC(=O)N(C(C)C(=O)O)C1=O- InChIKey
TZOKMVVYAJMTEX-UHFFFAOYSA-N- Molecular formula
- C7H10N2O4
- Average molar mass
- 186.17 g/mol
- Monoisotopic mass
- 186.0640568
Names & identifiers
- Preferred name
- 2-(4-Methyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
- IUPAC
- 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
- English name
- 1-Imidazolidineacetic acid, -alpha-,4-dimethyl-2,5-dioxo-
- Molecular formula
- C7H10N2O4
- Molecular weight
- 186.17
Names & synonyms
556080-37-61-Imidazolidineacetic acid, -alpha-,4-dimethyl-2,5-dioxo-2-(4-methyl-2,5-dioxoimidazolidin-1-yl)propanoic acidDTXSID90712347AKOS0159514461-Imidazolidineacetic acid, α,4-dimethyl-2,5-dioxo-1-Imidazolidineacetic acid,-α-,4-dimethyl-2,5-dioxo-2-(4-Methyl-2,5-dioxo-iMidazolidin-1-yl)-propionic acid1-Imidazolidineacetic acid, -alpha-,4-dimethyl-2,5-dioxo-
Database identifiers
- CAS
556080-37-6- PubChem CID
- 54579893
- DTXSID
DTXSID90712347
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 187 · 187-189 °C
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- pka
- 3.78 · 3.78±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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