2-Carbamoyl-2-propylpentanoic acid
Basic information
- CAS
87113-24-4- Standard SMILES
CCCC(CCC)(C(N)=O)C(=O)O- InChIKey
CDXGRRDBHYCNCP-UHFFFAOYSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Names & identifiers
- Preferred name
- 2-Carbamoyl-2-propylpentanoic acid
- IUPAC
- 2-carbamoyl-2-propylpentanoic acid
- English name
- Pentanoic acid,2-(aminocarbonyl)-2-propyl-
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.23618
Names & synonyms
2-carbamoyl-2-propylpentanoic acid87113-24-4DTXSID30302483RefChem:258145DTXCID20253617NSC151228Pentanoic acid,2-(aminocarbonyl)-2-propyl-Valproic Acid Impurity 37SCHEMBL22561293AKOS024332693NSC-1512282-CARBAMOYL-2-PROPYLVALERIC ACID
Database identifiers
- CAS
87113-24-4- PubChem CID
- 289448
- DTXSID
DTXSID30302483- EC Number
- 105-394-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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