2-[(Methylamino)carbonyl]-I(3)-oxo-1-pyrrolidinebutanoic acid
Basic information
- CAS
1249000-45-0- Standard SMILES
CNC(=O)C1CCCN1C(=O)CCC(=O)O- InChIKey
SDCBFJPQTFWWTQ-UHFFFAOYSA-N- Molecular formula
- C10H16N2O4
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.111007
Names & identifiers
- Preferred name
- 2-[(Methylamino)carbonyl]-I(3)-oxo-1-pyrrolidinebutanoic acid
- IUPAC
- 4-[2-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
Names & synonyms
DTXSID1011927164-[2-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid2-[(Methylamino)carbonyl]-I(3)-oxo-1-pyrrolidinebutanoic acid1249000-45-0
Database identifiers
- CAS
1249000-45-0- PubChem CID
- 60950657
- DTXSID
DTXSID101192716
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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