N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid

C11H16NO5P — CID 141478072

IUPACN-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
SMILESCCOC(=O)[C@H](C)NP(=O)(O)Oc1ccccc1
InChIInChI=1S/C11H16NO5P/c1-3-16-11(13)9(2)12-18(14,15)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,12,14,15)/t9-/m0/s1
InChIKeyFNGUVJCMKRMFOM-VIFPVBQESA-N
MW273.22 g/mol
LogP1.71
Rot. Bonds6

About N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid

N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid (PubChem CID 141478072) has the molecular formula C11H16NO5P and a molecular weight of 273.22 g/mol. Its IUPAC name is N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid.

Molecular Properties

Compound NameN-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
PubChem CID141478072
Molecular FormulaC11H16NO5P
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC NameN-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
SMILESCCOC(=O)[C@H](C)NP(=O)(O)Oc1ccccc1
InChIInChI=1S/C11H16NO5P/c1-3-16-11(13)9(2)12-18(14,15)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,12,14,15)/t9-/m0/s1
InChIKeyFNGUVJCMKRMFOM-VIFPVBQESA-N
XLogP1.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69006691
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
CID 122527443
(2-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69010591
ethyl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate
CID 134165823
[4-[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxyphenyl]-hydroxy-methylideneazanium
CID 157191496
ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate
CID 131990521
ethyl (2S)-2-[hydroxy(phenoxy)phosphoryl]oxypropanoate
CID 71159094
ethyl (2S)-2-[[[(2R)-1-(methylamino)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 71120514
2-methylbutyl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 126693124
ethyl 2-[[2-aminoethyl-[(1-ethoxy-1-oxopropan-2-yl)-phenoxyamino]phosphoryl]amino]propanoate
CID 142774476
heptadecyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 168741486

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid?
The IUPAC name of N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid (CID 141478072) is N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid.
What is the SMILES notation for N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid?
The canonical SMILES for N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid is CCOC(=O)[C@H](C)NP(=O)(O)Oc1ccccc1.
What is the InChIKey of N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid?
The InChIKey is FNGUVJCMKRMFOM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16NO5P/c1-3-16-11(13)9(2)12-18(14,15)17-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,12,14,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid?
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid has a molecular weight of 273.22 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid is sourced from PubChem (CID 141478072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).