1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C16H21N3O5S — CID 122085678

IUPAC1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C16H21N3O5S/c1-16(14(20)21)8-9-19(10-16)15(22)17-11-4-6-13(7-5-11)25(23,24)18-12-2-3-12/h4-7,12,18H,2-3,8-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyJULLRWTYYIBNCF-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.46
Rot. Bonds5

About 1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122085678) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122085678
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C16H21N3O5S/c1-16(14(20)21)8-9-19(10-16)15(22)17-11-4-6-13(7-5-11)25(23,24)18-12-2-3-12/h4-7,12,18H,2-3,8-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyJULLRWTYYIBNCF-UHFFFAOYSA-N
XLogP1.46
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085695
N-[4-(cyclopropylsulfamoyl)phenyl]-3-ethyl-3-hydroxyazetidine-1-carboxamide
CID 166236638
1-[(4-cyclopentyloxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075770
3-methyl-1-[[4-(phenylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078258
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
3-methyl-1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079106
1-[[4-(tert-butylcarbamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075361
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
1-[[3-(butylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122074858
3-methyl-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145879
3-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089272
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 55647465

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122085678) is 1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1.
What is the InChIKey of 1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JULLRWTYYIBNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-16(14(20)21)8-9-19(10-16)15(22)17-11-4-6-13(7-5-11)25(23,24)18-12-2-3-12/h4-7,12,18H,2-3,8-10H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 367.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122085678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).