N-(3-nitrophenylacetyl)-L-alanine methyl ester

HCID 69622971
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Basic information

Standard SMILES
COC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIKey
LHPIJORCNCBTNS-QMMMGPOBSA-N
Molecular formula
C12H14N2O5
Average molar mass
266.25 g/mol
Monoisotopic mass
266.09027155

Names & identifiers

Preferred name
N-(3-nitrophenylacetyl)-L-alanine methyl ester
IUPAC
methyl (2S)-2-[[2-(3-nitrophenyl)acetyl]amino]propanoate

Names & synonyms

SCHEMBL5967356LHPIJORCNCBTNS-QMMMGPOBSA-NN-(3-nitrophenylacetyl)-L-alanine methyl ester

Database identifiers

PubChem CID
69622971

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19

Related reactions

6 records
New reaction record

Compound notes

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