ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate

C7H16NO5P — CID 24949991

IUPACethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)P(=O)(OC)OC
InChIInChI=1S/C7H16NO5P/c1-5-13-7(9)6-8(2)14(10,11-3)12-4/h5-6H2,1-4H3
InChIKeyZDMYRKLFQQXLQB-UHFFFAOYSA-N
MW225.18 g/mol
LogP0.88
Rot. Bonds6

About ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate

ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate (PubChem CID 24949991) has the molecular formula C7H16NO5P and a molecular weight of 225.18 g/mol. Its IUPAC name is ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate
PubChem CID24949991
Molecular FormulaC7H16NO5P
Molecular Weight225.18 g/mol
Exact Mass225.08
IUPAC Nameethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)P(=O)(OC)OC
InChIInChI=1S/C7H16NO5P/c1-5-13-7(9)6-8(2)14(10,11-3)12-4/h5-6H2,1-4H3
InChIKeyZDMYRKLFQQXLQB-UHFFFAOYSA-N
XLogP0.88
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 22756487
ethyl 2-[carbonochloridoyl(methyl)amino]acetate
CID 134306024
(2-ethoxy-2-oxoethyl)-methylcarbamothioic S-acid
CID 155530849
ethyl 2-[[3-bromopropyl(methyl)amino]-methoxyphosphoryl]acetate
CID 23421935
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372
(2-ethoxy-2-oxoethyl)-methylcarbamodithioic acid
CID 10051757
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
CID 172843337
CID 172843337
ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate (CID 24949991) is ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate is CCOC(=O)CN(C)P(=O)(OC)OC.
What is the InChIKey of ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate?
The InChIKey is ZDMYRKLFQQXLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO5P/c1-5-13-7(9)6-8(2)14(10,11-3)12-4/h5-6H2,1-4H3.
What are the key properties of ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate?
ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate has a molecular weight of 225.18 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[dimethoxyphosphoryl(methyl)amino]acetate is sourced from PubChem (CID 24949991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).