Basic information
- Standard SMILES
CCC(NCCCC(=O)OC)C(N)=O- InChIKey
NPXPWBSOWAMRJS-UHFFFAOYSA-N- Molecular formula
- C9H18N2O3
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.13174244
Names & identifiers
- Preferred name
- Methyl-4-(1-carbamoylpropylamino)butyrate
- IUPAC
- methyl 4-[(1-amino-1-oxobutan-2-yl)amino]butanoate
Names & synonyms
SCHEMBL563000NPXPWBSOWAMRJS-UHFFFAOYSA-Nmethyl-4-(1-carbamoylpropylamino)butyrate
Database identifiers
- PubChem CID
- 9877677
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Related reactions
3 records
Compound notes
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