3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid

C8H16N2O4S — CID 102784116

IUPAC3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(CCS(N)(=O)=O)C1C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6-2-3-10(7(6)8(11)12)4-5-15(9,13)14/h6-7H,2-5H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyOBWDNELRSVZNAD-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.93
Rot. Bonds4

About 3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 102784116) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid
PubChem CID102784116
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(CCS(N)(=O)=O)C1C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6-2-3-10(7(6)8(11)12)4-5-15(9,13)14/h6-7H,2-5H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyOBWDNELRSVZNAD-UHFFFAOYSA-N
XLogP-0.93
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
CID 106454831
methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate
CID 112581200
3-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxylic acid
CID 102784810
1-but-2-ynyl-3-methylpyrrolidine-2-carboxylic acid
CID 102785800
1-(cyclohexylmethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786041
1-[2-(dimethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786056
1-(2-methoxyethylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 104937263
1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
CID 107072166
3-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 102776357
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785626
3-methyl-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 104937349
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784243

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid (CID 102784116) is 3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid is CC1CCN(CCS(N)(=O)=O)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OBWDNELRSVZNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6-2-3-10(7(6)8(11)12)4-5-15(9,13)14/h6-7H,2-5H2,1H3,(H,11,12)(H2,9,13,14).
What are the key properties of 3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 236.29 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-sulfamoylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102784116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).