(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H15N3O5S — CID 78923074

IUPAC(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C12H15N3O5S/c13-21(19,20)9-4-1-3-8(7-9)14-12(18)15-6-2-5-10(15)11(16)17/h1,3-4,7,10H,2,5-6H2,(H,14,18)(H,16,17)(H2,13,19,20)/t10-/m1/s1
InChIKeyIXUFLJUCOZFZNX-SNVBAGLBSA-N
MW313.33 g/mol
LogP0.41
Rot. Bonds3

About (2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78923074) has the molecular formula C12H15N3O5S and a molecular weight of 313.33 g/mol. Its IUPAC name is (2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78923074
Molecular FormulaC12H15N3O5S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C12H15N3O5S/c13-21(19,20)9-4-1-3-8(7-9)14-12(18)15-6-2-5-10(15)11(16)17/h1,3-4,7,10H,2,5-6H2,(H,14,18)(H,16,17)(H2,13,19,20)/t10-/m1/s1
InChIKeyIXUFLJUCOZFZNX-SNVBAGLBSA-N
XLogP0.41
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61191507
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78920787
(2S)-1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185659
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
1-[(3-bromo-4-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63334627
(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 29286120
1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 78923074) is (2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is NS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IXUFLJUCOZFZNX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O5S/c13-21(19,20)9-4-1-3-8(7-9)14-12(18)15-6-2-5-10(15)11(16)17/h1,3-4,7,10H,2,5-6H2,(H,14,18)(H,16,17)(H2,13,19,20)/t10-/m1/s1.
What are the key properties of (2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 313.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78923074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).