2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid

C11H15FNO5P — CID 23275552

IUPAC2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid
SMILESCOP(=O)(OC)C(NCC(=O)O)c1ccccc1F
InChIInChI=1S/C11H15FNO5P/c1-17-19(16,18-2)11(13-7-10(14)15)8-5-3-4-6-9(8)12/h3-6,11,13H,7H2,1-2H3,(H,14,15)
InChIKeyBHXXALLSNQEZCY-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.98
Rot. Bonds7

About 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid

2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid (PubChem CID 23275552) has the molecular formula C11H15FNO5P and a molecular weight of 291.22 g/mol. Its IUPAC name is 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid
PubChem CID23275552
Molecular FormulaC11H15FNO5P
Molecular Weight291.22 g/mol
Exact Mass291.07
IUPAC Name2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid
SMILESCOP(=O)(OC)C(NCC(=O)O)c1ccccc1F
InChIInChI=1S/C11H15FNO5P/c1-17-19(16,18-2)11(13-7-10(14)15)8-5-3-4-6-9(8)12/h3-6,11,13H,7H2,1-2H3,(H,14,15)
InChIKeyBHXXALLSNQEZCY-UHFFFAOYSA-N
XLogP1.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 11551400
3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82129844
methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate
CID 162412493
2-[3-(2-fluorophenyl)butanoylamino]acetic acid
CID 119171648
3-[1-(2-fluorophenyl)ethylamino]propanoic acid
CID 43087232
(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
CID 157200249
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine
CID 563390
3-acetamido-3-(2-fluorophenyl)-2,2-dimethylpropanoic acid
CID 59455612
4-(2-fluorophenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953572
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103257457

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid (CID 23275552) is 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid is COP(=O)(OC)C(NCC(=O)O)c1ccccc1F.
What is the InChIKey of 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid?
The InChIKey is BHXXALLSNQEZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FNO5P/c1-17-19(16,18-2)11(13-7-10(14)15)8-5-3-4-6-9(8)12/h3-6,11,13H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid?
2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid has a molecular weight of 291.22 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethoxyphosphoryl-(2-fluorophenyl)methyl]amino]acetic acid is sourced from PubChem (CID 23275552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).