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

C17H23N3O5S — CID 122085695

IUPAC1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)C1
InChIInChI=1S/C17H23N3O5S/c1-17(15(21)22)8-9-20(11-17)16(23)19-13-4-6-14(7-5-13)26(24,25)18-10-12-2-3-12/h4-7,12,18H,2-3,8-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyUEBHRDHYCIWNFG-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.70
Rot. Bonds6

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

1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122085695) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122085695
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)C1
InChIInChI=1S/C17H23N3O5S/c1-17(15(21)22)8-9-20(11-17)16(23)19-13-4-6-14(7-5-13)26(24,25)18-10-12-2-3-12/h4-7,12,18H,2-3,8-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyUEBHRDHYCIWNFG-UHFFFAOYSA-N
XLogP1.70
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(cyclopropylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085678
1-[(4-cyclopentyloxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075770
3-methyl-1-[[4-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085120
3-methyl-1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079106
1-[[3-(butylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122074858
3-methyl-1-[[4-(phenylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078258
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
1-[[3,4-bis(methoxycarbonyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085936
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
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883
1-[(3-fluoro-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149656

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122085695) is 1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)C1.
What is the InChIKey of 1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UEBHRDHYCIWNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-17(15(21)22)8-9-20(11-17)16(23)19-13-4-6-14(7-5-13)26(24,25)18-10-12-2-3-12/h4-7,12,18H,2-3,8-11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 381.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122085695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).