Basic information
- CAS
77382-85-5- Standard SMILES
O=NN(CCCC(=O)O)CCC(=O)O- InChIKey
LSZXIJLDXMMICW-UHFFFAOYSA-N- Molecular formula
- C7H12N2O5
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.07462149
Names & identifiers
- Preferred name
- Butanoic acid, 4-((2-carboxyethyl)nitrosoamino)-
- IUPAC
- 4-[2-carboxyethyl(nitroso)amino]butanoic acid
Names & synonyms
77382-85-5Butanoic acid, 4-((2-carboxyethyl)nitrosoamino)-DTXSID409985984-[(2-CARBOXYETHYL)(NITROSO)AMINO]BUTANOIC ACID
Database identifiers
- CAS
77382-85-5- PubChem CID
- 190037
- DTXSID
DTXSID40998598
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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