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

HCID 67549024
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Basic information

Standard SMILES
COC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIKey
SJXZIQUIWURFDF-VIFPVBQESA-N
Molecular formula
C12H14N2O6
Average molar mass
282.25 g/mol

Names & identifiers

Preferred name
N-(3-Methyl-4-nitrobenzoyl)serine methyl ester
IUPAC
methyl (2S)-3-hydroxy-2-[(3-methyl-4-nitrobenzoyl)amino]propanoate

Names & synonyms

SCHEMBL2823396SJXZIQUIWURFDF-VIFPVBQESA-NN-(3-Methyl-4-nitrobenzoyl)serine methyl ester

Database identifiers

PubChem CID
67549024

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
121 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
20

Related reactions

4 records
New reaction record

Linked notes

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