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N-Formylkynurenine

N-Formylkynurenine structure

CAS No:
1022-31-7
Formula:
C11H12N2O4
Chemical Name:
N-Formylkynurenine
Synonyms:
Benzenebutanoic acid,α-amino-2-(formylamino)-γ-oxo-;Alanine,3-(N-formylanthraniloyl)-;α-Amino-2-(formylamino)-γ-oxobenzenebutanoic acid;Kynurenine,N′-formyl-;N′-Formylkynurenine;Formylkynurenine;N-Formylkynurenine;2-Amino-4-(2-formamidophenyl)-4-oxobutanoic acid;2-Amino-4-(2-formamidophenyl)-4-oxo-butanoic acid;32999-58-9
Categories:
Active Pharmaceutical Ingredients > Antibiotics

Description

Solid

N-formylkynurenine is a non-proteinogenic alpha-amino acid and a non-proteinogenic amino acid derivative. It derives from a kynurenine.

N-Formylkynurenine Basic Attributes

Molecular Weight：

236.227

Exact Mass：

236.22

NSC Number：

334199

Characteristics

PSA：

110

XLogP3：

-2.3

Appearance：

Solid

Melting Point：

169-170 °C

Drug Information

MeSH Entry Terms：

N'-formylkynurenine

Computed Properties

Molecular Weight:236.22
XLogP3:-2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:236.07970687
Monoisotopic Mass:236.07970687
Topological Polar Surface Area:110
Heavy Atom Count:17
Complexity:306
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes