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

C13H21N3O4S — CID 58437095

IUPAC(2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid
SMILESCN(C)S(=O)(=O)c1cn([C@@H](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)/t11-/m0/s1
InChIKeyLOUQOHLMYOTOPZ-NSHDSACASA-N
MW315.40 g/mol
LogP1.34
Rot. Bonds6

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

(2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid (PubChem CID 58437095) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid
PubChem CID58437095
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name(2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid
SMILESCN(C)S(=O)(=O)c1cn([C@@H](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)/t11-/m0/s1
InChIKeyLOUQOHLMYOTOPZ-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid?
The IUPAC name of (2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid (CID 58437095) is (2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid.
What is the SMILES notation for (2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid?
The canonical SMILES for (2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid is CN(C)S(=O)(=O)c1cn([C@@H](CC2CCCC2)C(=O)O)cn1.
What is the InChIKey of (2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid?
The InChIKey is LOUQOHLMYOTOPZ-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid?
(2S)-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 (2S)-3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid is sourced from PubChem (CID 58437095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).