propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate

C14H22NO4P — CID 123570379

IUPACpropan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
SMILESCCP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1
InChIInChI=1S/C14H22NO4P/c1-5-20(17,19-13-9-7-6-8-10-13)15-12(4)14(16)18-11(2)3/h6-12H,5H2,1-4H3,(H,15,17)
InChIKeyFWYQBIOAMMYAPE-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.21
Rot. Bonds7

About propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate

propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate (PubChem CID 123570379) has the molecular formula C14H22NO4P and a molecular weight of 299.31 g/mol. Its IUPAC name is propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
PubChem CID123570379
Molecular FormulaC14H22NO4P
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC Namepropan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
SMILESCCP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1
InChIInChI=1S/C14H22NO4P/c1-5-20(17,19-13-9-7-6-8-10-13)15-12(4)14(16)18-11(2)3/h6-12H,5H2,1-4H3,(H,15,17)
InChIKeyFWYQBIOAMMYAPE-UHFFFAOYSA-N
XLogP3.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate 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

propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate
CID 118967597
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate
CID 142963706
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
cyclohexyl (2S)-2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 170067038
propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate
CID 164823812
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 53476763
propan-2-yl 2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 87400602

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate (CID 123570379) is propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate is CCP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1.
What is the InChIKey of propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate?
The InChIKey is FWYQBIOAMMYAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO4P/c1-5-20(17,19-13-9-7-6-8-10-13)15-12(4)14(16)18-11(2)3/h6-12H,5H2,1-4H3,(H,15,17).
What are the key properties of propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate?
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate has a molecular weight of 299.31 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 123570379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).