propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate

C13H19FNO4P — CID 169218939

IUPACpropyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate
SMILESCCCOC(=O)CNP(=O)(Oc1ccccc1)C(C)F
InChIInChI=1S/C13H19FNO4P/c1-3-9-18-13(16)10-15-20(17,11(2)14)19-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)
InChIKeyAGAXJYMOYGZIQN-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.12
Rot. Bonds8

About propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate

propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate (PubChem CID 169218939) has the molecular formula C13H19FNO4P and a molecular weight of 303.27 g/mol. Its IUPAC name is propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate.

Molecular Properties

Compound Namepropyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate
PubChem CID169218939
Molecular FormulaC13H19FNO4P
Molecular Weight303.27 g/mol
Exact Mass303.10
IUPAC Namepropyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate
SMILESCCCOC(=O)CNP(=O)(Oc1ccccc1)C(C)F
InChIInChI=1S/C13H19FNO4P/c1-3-9-18-13(16)10-15-20(17,11(2)14)19-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,17)
InChIKeyAGAXJYMOYGZIQN-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate 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

propyl 2-[[(1-fluoro-2,2-dimethylpropyl)-phenoxyphosphoryl]amino]propanoate
CID 176768681
ethyl 2-(diphenoxyphosphorylamino)acetate
CID 23242085
propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate
CID 138502301
ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate
CID 156841904
propyl 3-phenoxypropanoate
CID 43389568
N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
CID 147905510
ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
CID 162736895
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate
CID 123387305
[(2S)-2-[[chloro(phenoxy)phosphoryl]amino]propyl] butanoate
CID 59185393
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
5-[(R)-fluoro-[[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]-phenoxyphosphoryl]methyl]-1-benzothiophene-2-carboxylic acid
CID 176805463
dipropyl 2-phenoxybutanedioate
CID 139989420

Frequently Asked Questions

What is the IUPAC name of propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate?
The IUPAC name of propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate (CID 169218939) is propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate.
What is the SMILES notation for propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate?
The canonical SMILES for propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate is CCCOC(=O)CNP(=O)(Oc1ccccc1)C(C)F.
What is the InChIKey of propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate?
The InChIKey is AGAXJYMOYGZIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FNO4P/c1-3-9-18-13(16)10-15-20(17,11(2)14)19-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,17).
What are the key properties of propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate?
propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate has a molecular weight of 303.27 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate is sourced from PubChem (CID 169218939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).