3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid

C15H20N2O5S — CID 167782696

IUPAC3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(CCC(=O)O)cc2)C1=O
InChIInChI=1S/C15H20N2O5S/c1-16-10-9-13(15(16)20)17(2)23(21,22)12-6-3-11(4-7-12)5-8-14(18)19/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyHRLKCHQERAAMSV-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.56
Rot. Bonds6

About 3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid

3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid (PubChem CID 167782696) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid
PubChem CID167782696
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(CCC(=O)O)cc2)C1=O
InChIInChI=1S/C15H20N2O5S/c1-16-10-9-13(15(16)20)17(2)23(21,22)12-6-3-11(4-7-12)5-8-14(18)19/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyHRLKCHQERAAMSV-UHFFFAOYSA-N
XLogP0.56
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[methyl(oxolan-3-yl)sulfamoyl]phenyl]propanoic acid
CID 82732341
3-[4-[methyl(thiolan-3-yl)sulfamoyl]phenyl]propanoic acid
CID 43296561
3-[4-[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]phenyl]propanoic acid
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3-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]propanoic acid
CID 54876098
3-[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]propanoic acid
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3-[4-[2-ethoxyethyl(methyl)sulfamoyl]phenyl]propanoic acid
CID 81035572
3-[4-[[[cyclobutyl(methyl)sulfamoyl]amino]methyl]phenyl]propanoic acid
CID 167934288
3-[4-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)phenyl]propanoic acid
CID 103979379
3-(4-propylsulfonylphenyl)propanoic acid
CID 43140837
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid
CID 91643754
N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 134008436
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid (CID 167782696) is 3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid is CN1CCC(N(C)S(=O)(=O)c2ccc(CCC(=O)O)cc2)C1=O.
What is the InChIKey of 3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid?
The InChIKey is HRLKCHQERAAMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-16-10-9-13(15(16)20)17(2)23(21,22)12-6-3-11(4-7-12)5-8-14(18)19/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid?
3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid has a molecular weight of 340.40 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl-(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 167782696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).