N-(3-Methyl-4-nitrobenzoyl)threonine methyl ester

HCID 67548938
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Basic information

Standard SMILES
COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)O
InChIKey
YYHJKMGIMZPCPA-KCJUWKMLSA-N
Molecular formula
C13H16N2O6
Average molar mass
296.28 g/mol

Names & identifiers

Preferred name
N-(3-Methyl-4-nitrobenzoyl)threonine methyl ester
IUPAC
methyl (2S,3R)-3-hydroxy-2-[(3-methyl-4-nitrobenzoyl)amino]butanoate

Names & synonyms

SCHEMBL2823134YYHJKMGIMZPCPA-KCJUWKMLSA-NN-(3-Methyl-4-nitrobenzoyl)threonine methyl ester

Database identifiers

PubChem CID
67548938

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
121 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
21

Related reactions

4 records
New reaction record

Linked notes

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