ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate

C10H15N2O4P — CID 156841904

IUPACethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate
SMILESCCOC(=O)CNP(N)(=O)Oc1ccccc1
InChIInChI=1S/C10H15N2O4P/c1-2-15-10(13)8-12-17(11,14)16-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,11,12,14)
InChIKeyDLEFHYDQWPGGMH-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.28
Rot. Bonds6

About ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate

ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate (PubChem CID 156841904) has the molecular formula C10H15N2O4P and a molecular weight of 258.21 g/mol. Its IUPAC name is ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate
PubChem CID156841904
Molecular FormulaC10H15N2O4P
Molecular Weight258.21 g/mol
Exact Mass258.08
IUPAC Nameethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate
SMILESCCOC(=O)CNP(N)(=O)Oc1ccccc1
InChIInChI=1S/C10H15N2O4P/c1-2-15-10(13)8-12-17(11,14)16-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,11,12,14)
InChIKeyDLEFHYDQWPGGMH-UHFFFAOYSA-N
XLogP1.28
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[[amino(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

ethyl 2-(diphenoxyphosphorylamino)acetate
CID 23242085
ethyl 2-[[3-(methylamino)propyl-phenoxyphosphoryl]amino]acetate
CID 71216005
ethyl 2-(dibenzylphosphinothioylamino)acetate
CID 13241842
propyl 2-[[1-fluoroethyl(phenoxy)phosphoryl]amino]acetate
CID 169218939
[[(2-ethoxy-2-oxoethyl)amino]-hydroxymethyl]-phenylperoxyphosphinic acid
CID 54030377
propyl 2-[[1,3-dioxolan-2-ylmethoxy(phenoxy)phosphoryl]amino]acetate
CID 138502301
sodium;1-O-ethyl 3-O-phenyl propanedioate;hydride
CID 175262999
ethyl 2-[[[2,6-di(propan-2-yl)phenoxy]-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
CID 118909709
[(ethoxycarbonylamino)-phenylmethyl]-phenoxyphosphinic acid
CID 102076625
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
CID 147905510
ethyl 2-(phenylsulfanylamino)acetate
CID 10910831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate?
The IUPAC name of ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate (CID 156841904) is ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate.
What is the SMILES notation for ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate?
The canonical SMILES for ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate is CCOC(=O)CNP(N)(=O)Oc1ccccc1.
What is the InChIKey of ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate?
The InChIKey is DLEFHYDQWPGGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O4P/c1-2-15-10(13)8-12-17(11,14)16-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,11,12,14).
What are the key properties of ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate?
ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate has a molecular weight of 258.21 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[amino(phenoxy)phosphoryl]amino]acetate is sourced from PubChem (CID 156841904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).