N-(N-acetylvalyl)-N-nitrosoglycine
Basic information
- CAS
99152-10-0- Standard SMILES
CC(=O)N[C@@H](C(=O)N(CC(=O)O)N=O)C(C)C- InChIKey
XZUXDHWLWRENOL-MRVPVSSYSA-N- Molecular formula
- C9H15N3O5
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.10117059
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(N-acetylvalyl)-N-nitrosoglycine
- IUPAC
- 2-[[(2R)-2-acetamido-3-methylbutanoyl]-nitrosoamino]acetic acid
- English name
- 2-[[(2R)-2-acetamido-3-methyl-butanoyl]-nitroso-amino]acetic acid
- Molecular formula
- C9H15N3O5
- Molecular weight
- 245.23
Names & synonyms
N-(N-Acetylvalyl)-N-nitrosoglycine99152-10-0DTXSID701034641N-AVNGRefChem:162407DTXCID8015191592-[[(2R)-2-ACETAMIDO-3-METHYL-BUTANOYL]-NITROSO-AMINO]ACETIC ACIDCCRIS 2358Glycine, N-(N-acetyl-L-valyl)-N-nitroso-
Database identifiers
- CAS
99152-10-0- PubChem CID
- 127249
- DTXSID
DTXSID701034641
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 388.19 °C · 388.19°C (rough estimate)
- Density
- 1.329 · 1.3290 (rough estimate)
- refractive index
- 1.483 · 1.4830 (estimate)
- pka
- 2.594 · 2.594±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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