methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

C11H17NO7S — CID 62952441

IUPACmethyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO7S/c1-18-9(13)5-12(6-10(14)19-2)11(15)8-3-4-20(16,17)7-8/h8H,3-7H2,1-2H3
InChIKeyGBKQYAWWUGNZOT-UHFFFAOYSA-N
MW307.32 g/mol
LogP-1.40
Rot. Bonds5

About methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62952441) has the molecular formula C11H17NO7S and a molecular weight of 307.32 g/mol. Its IUPAC name is methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62952441
Molecular FormulaC11H17NO7S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC Namemethyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO7S/c1-18-9(13)5-12(6-10(14)19-2)11(15)8-3-4-20(16,17)7-8/h8H,3-7H2,1-2H3
InChIKeyGBKQYAWWUGNZOT-UHFFFAOYSA-N
XLogP-1.40
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)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

methyl 3-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958859
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671
methyl 2-[acetyl-[(3R)-1,1-dioxothiolan-3-yl]amino]acetate
CID 39884592
methyl 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]-propylamino]acetate
CID 55006150
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 64913179
methyl 2-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-2-yl]acetate
CID 61010521
N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide
CID 64913364
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate
CID 55005731
methyl 2-[(3S)-1,1-dioxothiolan-3-yl]sulfonylacetate
CID 7361246
methyl 2-[(1,1-dioxothiolan-3-yl)-(3-methylbutanoyl)amino]acetate
CID 43839665
methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
CID 55208335
N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide
CID 64906251

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 62952441) is methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is GBKQYAWWUGNZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO7S/c1-18-9(13)5-12(6-10(14)19-2)11(15)8-3-4-20(16,17)7-8/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 307.32 g/mol, XLogP of -1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62952441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).