3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid

C13H21N3O4S — CID 67314454

IUPAC3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid
SMILESCN(C)S(=O)(=O)c1cn(C(CC2CCCC2)C(=O)O)cn1
InChIInChI=1S/C13H21N3O4S/c1-15(2)21(19,20)12-8-16(9-14-12)11(13(17)18)7-10-5-3-4-6-10/h8-11H,3-7H2,1-2H3,(H,17,18)
InChIKeyLOUQOHLMYOTOPZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.34
Rot. Bonds6

About 3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid

3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid (PubChem CID 67314454) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid
PubChem CID67314454
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid
SMILESCN(C)S(=O)(=O)c1cn(C(CC2CCCC2)C(=O)O)cn1
InChIInChI=1S/C13H21N3O4S/c1-15(2)21(19,20)12-8-16(9-14-12)11(13(17)18)7-10-5-3-4-6-10/h8-11H,3-7H2,1-2H3,(H,17,18)
InChIKeyLOUQOHLMYOTOPZ-UHFFFAOYSA-N
XLogP1.34
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-cyclopentyl-2-(4-methylsulfonylimidazol-1-yl)propanoate
CID 67314595
3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide
CID 67312986
3-cyclopentyl-2-[4-(dimethylamino)-2-prop-2-enylsulfonylimidazol-1-yl]propanoic acid
CID 174624143
methyl 3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate
CID 67130816
2-(cyclohexylmethyl)-4-[3-(dimethylsulfamoyl)phenyl]-4-oxobutanoic acid
CID 19378612
N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 109379589
2-[cyclopropyl-(1-propan-2-ylimidazol-4-yl)sulfonylamino]-2-(2,6-difluorophenyl)acetic acid
CID 167785371
2-[cyclopropylmethyl-(1-methylimidazol-4-yl)sulfonylamino]acetic acid
CID 62375284
6-[[(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoyl]amino]-2-methylpyridine-3-carboxylic acid
CID 71080363
3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid
CID 68750730
(2S)-3-cyclohexyl-2-[(6-methylsulfonylpyridazin-3-yl)amino]propanoic acid
CID 166400183
(2S)-3-cyclohexyl-2-[(5S)-5-cyclohexyl-5-methyl-2,4-dioxoimidazolidin-1-yl]propanoic acid
CID 90853649

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid (CID 67314454) is 3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid is CN(C)S(=O)(=O)c1cn(C(CC2CCCC2)C(=O)O)cn1.
What is the InChIKey of 3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid?
The InChIKey is LOUQOHLMYOTOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-15(2)21(19,20)12-8-16(9-14-12)11(13(17)18)7-10-5-3-4-6-10/h8-11H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid?
3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid has a molecular weight of 315.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid is sourced from PubChem (CID 67314454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).