N-[4-(4-nitrophenylphospho)butanoyl]alanine
2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propanoic acid
Molecular Identity
N-[4-(4-nitrophenylphospho)butanoyl]alanine
2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propanoic acid
PubChem CID: 446755
N-[4-(4-nitrophenylphospho)butanoyl]alanine is an alanine derivative having a 4-(4-nitrophenylphospho)butanoyl group attached to the nitrogen of alanine. It is an alanine derivative, a C-nitro compound and an aryl phosphonate.
2D Structure
Properties
C13H17N2O8P
Molecular Formula
360.26
Molecular Weight
g/mol
360.0723
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
159
TPSA
May have limited oral absorption
3
H-Bond Donors
8
H-Bond Acceptors
513
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(9)
N-[4-(4-nitrophenylphospho)butanoyl]alanine2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propanoic acidPARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINECHEBI:59566PD036161Q27126781N-{4-[hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}alanineN-{4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}-D-alaninePNE
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to N-[4-(4-nitrophenylphospho)butanoyl]alanine
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