Basic information
- CAS
7152-76-3- Standard SMILES
CCCCNC(=O)NC=C(C(=O)O)C(=O)O- InChIKey
XDLCAEDIUROBJK-UHFFFAOYSA-N- Molecular formula
- C9H14N2O5
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.09027155
Names & identifiers
- Preferred name
- {[(Butylcarbamoyl)amino]methylidene}propanedioic acid
- IUPAC
- 2-[(butylcarbamoylamino)methylidene]propanedioic acid
Names & synonyms
7152-76-3{[(butylcarbamoyl)amino]methylidene}propanedioic acidNSC24192DTXSID70282093NSC-24192
Database identifiers
- CAS
7152-76-3- PubChem CID
- 230004
- DTXSID
DTXSID70282093
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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