[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

C17H23NO6S — CID 8731267

IUPAC[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H23NO6S/c1-2-23-15-6-4-3-5-13(15)7-8-17(20)24-11-16(19)18-14-9-10-25(21,22)12-14/h3-6,14H,2,7-12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyDXFYWQZEGWILBQ-CQSZACIVSA-N
MW369.44 g/mol
LogP0.86
Rot. Bonds8

About [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 8731267) has the molecular formula C17H23NO6S and a molecular weight of 369.44 g/mol. Its IUPAC name is [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
PubChem CID8731267
Molecular FormulaC17H23NO6S
Molecular Weight369.44 g/mol
Exact Mass369.12
IUPAC Name[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H23NO6S/c1-2-23-15-6-4-3-5-13(15)7-8-17(20)24-11-16(19)18-14-9-10-25(21,22)12-14/h3-6,14H,2,7-12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyDXFYWQZEGWILBQ-CQSZACIVSA-N
XLogP0.86
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate with MolForge

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Related Compounds

[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871037
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524467
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 3461875
N-(1,1-dioxothiolan-3-yl)-3-[[N'-[(2-ethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111881150
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 3326955
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 7843532
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501110
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227113
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703857
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3525656
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 86830047

Frequently Asked Questions

What is the IUPAC name of [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (CID 8731267) is [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is DXFYWQZEGWILBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO6S/c1-2-23-15-6-4-3-5-13(15)7-8-17(20)24-11-16(19)18-14-9-10-25(21,22)12-14/h3-6,14H,2,7-12H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 369.44 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 8731267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).