2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid

C12H20N2O6S — CID 175164867

IUPAC2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NS(=O)(=O)/C=C/C1CCCN1C(=O)O
InChIInChI=1S/C12H20N2O6S/c1-12(2,3)20-10(15)13-21(18,19)8-6-9-5-4-7-14(9)11(16)17/h6,8-9H,4-5,7H2,1-3H3,(H,13,15)(H,16,17)/b8-6+
InChIKeyCFVPGVZSXOQMDP-SOFGYWHQSA-N
MW320.37 g/mol
LogP1.50
Rot. Bonds3

About 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid

2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid (PubChem CID 175164867) has the molecular formula C12H20N2O6S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid
PubChem CID175164867
Molecular FormulaC12H20N2O6S
Molecular Weight320.37 g/mol
Exact Mass320.10
IUPAC Name2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NS(=O)(=O)/C=C/C1CCCN1C(=O)O
InChIInChI=1S/C12H20N2O6S/c1-12(2,3)20-10(15)13-21(18,19)8-6-9-5-4-7-14(9)11(16)17/h6,8-9H,4-5,7H2,1-3H3,(H,13,15)(H,16,17)/b8-6+
InChIKeyCFVPGVZSXOQMDP-SOFGYWHQSA-N
XLogP1.50
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid 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

tert-butyl 2-[(Z)-2-sulfamoylethenyl]pyrrolidine-1-carboxylate
CID 175162311
tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate
CID 175741866
2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid
CID 154997321
tert-butyl (2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]pyrrolidine-1-carboxylate
CID 10711993
tert-butyl 2-[(E)-2-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]ethenyl]pyrrolidine-1-carboxylate
CID 175164811
(2S)-2-[(E)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)ethenyl]pyrrolidine-1-carboxylic acid
CID 154996826
tert-butyl (2S)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 11118647
tert-butyl 2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
CID 56993490
tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate
CID 150319571
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
tert-butyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 3063137
(2R)-2-(3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylic acid
CID 69317593

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid (CID 175164867) is 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid is CC(C)(C)OC(=O)NS(=O)(=O)/C=C/C1CCCN1C(=O)O.
What is the InChIKey of 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid?
The InChIKey is CFVPGVZSXOQMDP-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H20N2O6S/c1-12(2,3)20-10(15)13-21(18,19)8-6-9-5-4-7-14(9)11(16)17/h6,8-9H,4-5,7H2,1-3H3,(H,13,15)(H,16,17)/b8-6+.
What are the key properties of 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid?
2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]ethenyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175164867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).