N-acetyl-N'-nitrosotryptophan methyl ester
Basic information
- CAS
53659-33-9- Standard SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N=O)C(C)=O- InChIKey
AGKSTJOYUCWFJZ-ZDUSSCGKSA-N- Molecular formula
- C14H15N3O4
- Average molar mass
- 289.29 g/mol
- Monoisotopic mass
- 289.10625597
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-acetyl-N'-nitrosotryptophan methyl ester
- IUPAC
- methyl (2S)-2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoate
- English name
- N-acetyl-N'-nitrosotryptophan methyl ester
- Molecular formula
- C14H15N3O4
- Molecular weight
- 289.29
Names & synonyms
N-Acetyl-N'-nitrosotryptophan methyl ester53659-33-9RefChem:162632DL-N-Acetyl-1-nitrosotryptophan methyl esterDL-N-Acetyl-N'-nitrosotryptophan methyl esterTryptophan, N-acetyl-1-nitroso-, methyl ester, DL-DTXSID10968425methyl 2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoateMETHYL (2S)-3-(1H-INDOL-3-YL)-2-(N-NITROSOACETAMIDO)PROPANOATETryptophan, N-acetyl-1-nitroso-, methyl ester
Database identifiers
- CAS
53659-33-9- PubChem CID
- 148648
- DTXSID
DTXSID10968425
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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