Basic information
- CAS
88476-97-5- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1N=O)C(=O)O- InChIKey
OMOQFPVNEDZALY-CIUDSAMLSA-N- Molecular formula
- C11H19N3O4
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.1375561
Names & identifiers
- Preferred name
- L-Isoleucine, N-(1-nitroso-L-prolyl)-
- IUPAC
- (2S,3S)-3-methyl-2-[[(2S)-1-nitrosopyrrolidine-2-carbonyl]amino]pentanoic acid
Names & synonyms
L-Isoleucine, N-(1-nitroso-L-prolyl)-88476-97-5N-(1-Nitroso-L-prolyl)-L-isoleucineMQY94XJ227DTXSID901008177N-[Hydroxy(1-nitrosopyrrolidin-2-yl)methylidene]isoleucineN-{Hydroxy[(2S)-1-nitrosopyrrolidin-2-yl]methylidene}-L-isoleucine
Database identifiers
- CAS
88476-97-5- PubChem CID
- 190092
- DTXSID
DTXSID901008177- UNII
- MQY94XJ227
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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