N-acetyl-N'-nitrosotryptophan
Basic information
- CAS
53602-74-7- Standard SMILES
CC(=O)N(N=O)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
QGCFCYSWAISKFH-LBPRGKRZSA-N- Molecular formula
- C13H13N3O4
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.0906059
Overview
RN given refers to DL-isomer; structure given in first source
Names & identifiers
- Preferred name
- N-acetyl-N'-nitrosotryptophan
- IUPAC
- (2S)-2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoic acid
- English name
- (2S)-2-(acetyl-nitroso-amino)-3-(1H-indol-3-yl)propanoic acid
- Molecular formula
- C13H13N3O4
- Molecular weight
- 275.26
Names & synonyms
N-Acetyl-N'-nitrosotryptophan53602-74-7RefChem:162631DL-N-Acetyl-1-nitrosotryptophanDL-N-Acetyl-N'-nitrosotryptophanTryptophan, N-acetyl-1-nitroso-, DL-N-acetyl-nitrosotryptophanN-Acetyl-1-NitrosotryptophanSCHEMBL6004128DTXSID60968374(2S)-3-(1H-INDOL-3-YL)-2-(N-NITROSOACETAMIDO)PROPANOIC ACIDDB-321960
Show more names
DLACETYLNNITROSOTRYPTOPHAN
2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoic acid(2S)-2-(ACETYL-NITROSO-AMINO)-3-(1H-INDOL-3-YL)PROPANOIC ACID
Database identifiers
- CAS
53602-74-7- PubChem CID
- 148647
- DTXSID
DTXSID60968374- Nikkaji
- J2.696.893C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Density
- 1.423 · 1.423±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.483 · 3.483±0.10(predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…