2-amino-4-diphenoxyphosphorylbutanoic acid

C16H18NO5P — CID 23582839

IUPAC2-amino-4-diphenoxyphosphorylbutanoic acid
SMILESNC(CCP(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)O
InChIInChI=1S/C16H18NO5P/c17-15(16(18)19)11-12-23(20,21-13-7-3-1-4-8-13)22-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2,(H,18,19)
InChIKeyGQSKELNXPQFSSY-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.14
Rot. Bonds8

About 2-amino-4-diphenoxyphosphorylbutanoic acid

2-amino-4-diphenoxyphosphorylbutanoic acid (PubChem CID 23582839) has the molecular formula C16H18NO5P and a molecular weight of 335.30 g/mol. Its IUPAC name is 2-amino-4-diphenoxyphosphorylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-diphenoxyphosphorylbutanoic acid
PubChem CID23582839
Molecular FormulaC16H18NO5P
Molecular Weight335.30 g/mol
Exact Mass335.09
IUPAC Name2-amino-4-diphenoxyphosphorylbutanoic acid
SMILESNC(CCP(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)O
InChIInChI=1S/C16H18NO5P/c17-15(16(18)19)11-12-23(20,21-13-7-3-1-4-8-13)22-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2,(H,18,19)
InChIKeyGQSKELNXPQFSSY-UHFFFAOYSA-N
XLogP3.14
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
(2S)-2-amino-4-[[3-(carboxymethyl)phenoxy]-methoxyphosphoryl]butanoic acid;methane;sulfane
CID 159381825
2-amino-4-dimethoxyphosphorylbutanoic acid
CID 14607816
benzyl N-(2-diphenoxyphosphorylethyl)carbamate
CID 59131482
(2S)-2-amino-4-(4-phosphonooxyphenyl)butanoic acid
CID 163481333
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
(2S)-2-aminopentanedioic acid;anisole
CID 70447699
2-(diphenoxyphosphorylmethyl)butanedioic acid
CID 58818769
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
CID 69256831
2-amino-4-[butyl(phenyl)phosphoryl]butanoic acid
CID 141175434
N-(5-diphenoxyphosphorylpentyl)benzamide
CID 71323655
2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane
CID 174881323

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-diphenoxyphosphorylbutanoic acid?
The IUPAC name of 2-amino-4-diphenoxyphosphorylbutanoic acid (CID 23582839) is 2-amino-4-diphenoxyphosphorylbutanoic acid.
What is the SMILES notation for 2-amino-4-diphenoxyphosphorylbutanoic acid?
The canonical SMILES for 2-amino-4-diphenoxyphosphorylbutanoic acid is NC(CCP(=O)(Oc1ccccc1)Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-4-diphenoxyphosphorylbutanoic acid?
The InChIKey is GQSKELNXPQFSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO5P/c17-15(16(18)19)11-12-23(20,21-13-7-3-1-4-8-13)22-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2,(H,18,19).
What are the key properties of 2-amino-4-diphenoxyphosphorylbutanoic acid?
2-amino-4-diphenoxyphosphorylbutanoic acid has a molecular weight of 335.30 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-diphenoxyphosphorylbutanoic acid is sourced from PubChem (CID 23582839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).