ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate

C9H18NO4PS2 — CID 20836038

IUPACethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSP(C)(=S)OCC
InChIInChI=1S/C9H18NO4PS2/c1-4-13-9(12)6-10-8(11)7-17-15(3,16)14-5-2/h4-7H2,1-3H3,(H,10,11)
InChIKeyBTLMTRPTWKZJGU-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.37
Rot. Bonds8

About ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate

ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate (PubChem CID 20836038) has the molecular formula C9H18NO4PS2 and a molecular weight of 299.35 g/mol. Its IUPAC name is ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate
PubChem CID20836038
Molecular FormulaC9H18NO4PS2
Molecular Weight299.35 g/mol
Exact Mass299.04
IUPAC Nameethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSP(C)(=S)OCC
InChIInChI=1S/C9H18NO4PS2/c1-4-13-9(12)6-10-8(11)7-17-15(3,16)14-5-2/h4-7H2,1-3H3,(H,10,11)
InChIKeyBTLMTRPTWKZJGU-UHFFFAOYSA-N
XLogP1.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]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 N-{[(diethoxyphosphorothioyl)sulfanyl]acetyl}glycinate
CID 1861634
2-((Ethoxy(methyl)phosphoryl)sulfanyl)-N-(2-ethoxy-2-oxoethyl)ethanimidic acid
CID 54371
N,N'-Diacetylcystine diethyl ester
CID 385961
Glycine, N-(mercaptoacetyl-, S-ester with O-ethyl methylphosphonodithioate
CID 182150
Ethyl N-(methylethoxythiophosphorylmercapto)acetylglycine
CID 6337155
Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)glycyl)-, ethyl ester
CID 6337731
L-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)glycyl)-, ethyl ester
CID 6337732
Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester
CID 6337738
3-Oxa-5-thia-8-aza-4-phosphadecan-10-oic acid, 4-ethoxy-7-oxo-, ethyl ester, 4-sulfide
CID 44154327
Ethyl 2-[(2-diethoxyphosphorylsulfanylacetyl)amino]propanoate
CID 2838891
Ethyl 2-[3-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropyl]disulfanyl]propanoylamino]acetate
CID 12117217
Ethyl 2-sulfanyl-2-[(2-sulfanylacetyl)amino]acetate
CID 12657375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate (CID 20836038) is ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate is CCOC(=O)CNC(=O)CSP(C)(=S)OCC.
What is the InChIKey of ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate?
The InChIKey is BTLMTRPTWKZJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO4PS2/c1-4-13-9(12)6-10-8(11)7-17-15(3,16)14-5-2/h4-7H2,1-3H3,(H,10,11).
What are the key properties of ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate?
ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate has a molecular weight of 299.35 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]acetate is sourced from PubChem (CID 20836038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).