Basic information
- CAS
40911-10-2- Standard SMILES
CC(=O)CCCN(CCC(=O)O)N=O- InChIKey
HRBJXMFLTMMXDX-UHFFFAOYSA-N- Molecular formula
- C8H14N2O4
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.09535693
Names & identifiers
- Preferred name
- beta-Alanine, N-nitroso-N-(4-oxopentyl)-
- IUPAC
- 3-[nitroso(4-oxopentyl)amino]propanoic acid
Names & synonyms
beta-Alanine, N-nitroso-N-(4-oxopentyl)-N-Nitroso-N-(4-oxopentyl)-beta-alanine40911-10-23-[nitroso(4-oxopentyl)amino]propanoic acidDTXSID60193907
Database identifiers
- CAS
40911-10-2- PubChem CID
- 6451663
- DTXSID
DTXSID60193907
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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