methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate

C14H18N2O5S — CID 168717232

IUPACmethyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C14H18N2O5S/c1-21-14(18)7-4-10-2-5-11(6-3-10)16-9-12(8-13(16)17)22(15,19)20/h2-3,5-6,12H,4,7-9H2,1H3,(H2,15,19,20)
InChIKeyBHMCSIVKIAVOTM-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.19
Rot. Bonds5

About methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate

methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate (PubChem CID 168717232) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate
PubChem CID168717232
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Namemethyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C14H18N2O5S/c1-21-14(18)7-4-10-2-5-11(6-3-10)16-9-12(8-13(16)17)22(15,19)20/h2-3,5-6,12H,4,7-9H2,1H3,(H2,15,19,20)
InChIKeyBHMCSIVKIAVOTM-UHFFFAOYSA-N
XLogP0.19
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate 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-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate
CID 168675500
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951
N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717045
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
4-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]butanoic acid
CID 168715999
methyl 2-fluoro-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717283
methyl 2-bromo-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717280
methyl 3-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]propanoate
CID 70077589
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-[3,5-bis(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719258
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716761
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate?
The IUPAC name of methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate (CID 168717232) is methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate is COC(=O)CCc1ccc(N2CC(S(N)(=O)=O)CC2=O)cc1.
What is the InChIKey of methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate?
The InChIKey is BHMCSIVKIAVOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-21-14(18)7-4-10-2-5-11(6-3-10)16-9-12(8-13(16)17)22(15,19)20/h2-3,5-6,12H,4,7-9H2,1H3,(H2,15,19,20).
What are the key properties of methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate?
methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate has a molecular weight of 326.37 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate is sourced from PubChem (CID 168717232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).