ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate

C19H24NO5P — CID 131990521

IUPACethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NP(=O)(COCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H24NO5P/c1-3-24-19(21)16(2)20-26(22,25-18-12-8-5-9-13-18)15-23-14-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,20,22)/t16-,26?/m0/s1
InChIKeyYRXNLOURPOQKFF-AJWVYOOVSA-N
MW377.38 g/mol
LogP3.97
Rot. Bonds10

About ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate

ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate (PubChem CID 131990521) has the molecular formula C19H24NO5P and a molecular weight of 377.38 g/mol. Its IUPAC name is ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate
PubChem CID131990521
Molecular FormulaC19H24NO5P
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Nameethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NP(=O)(COCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H24NO5P/c1-3-24-19(21)16(2)20-26(22,25-18-12-8-5-9-13-18)15-23-14-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,20,22)/t16-,26?/m0/s1
InChIKeyYRXNLOURPOQKFF-AJWVYOOVSA-N
XLogP3.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)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

N-[phenoxy(phenylmethoxymethyl)phosphoryl]propan-2-amine
CID 131990520
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
ethyl (2S)-2-[[phenoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphoryl]amino]propanoate
CID 71121798
ethyl (2S)-2-[[[(2R)-1-(methylamino)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 71120514
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
ethyl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate
CID 134165823
benzyl (2S)-2-[[iodo(phenoxy)phosphoryl]amino]propanoate
CID 145274356
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
CID 122527443
benzyl (2S)-2-[[2-(2,6-diaminopyrimidin-4-yl)oxyethoxymethyl-phenoxyphosphoryl]amino]propanoate
CID 90468402
ethyl (2S)-2-[[phenoxy-[[4-[[(4R,5S,6S,7R)-1,3,7-tribenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-4-yl]methyl]phenoxy]methyl]phosphoryl]amino]propanoate
CID 59132384
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate?
The IUPAC name of ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate (CID 131990521) is ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate is CCOC(=O)[C@H](C)NP(=O)(COCc1ccccc1)Oc1ccccc1.
What is the InChIKey of ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate?
The InChIKey is YRXNLOURPOQKFF-AJWVYOOVSA-N. The full InChI is InChI=1S/C19H24NO5P/c1-3-24-19(21)16(2)20-26(22,25-18-12-8-5-9-13-18)15-23-14-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,20,22)/t16-,26?/m0/s1.
What are the key properties of ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate?
ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate has a molecular weight of 377.38 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate is sourced from PubChem (CID 131990521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).