(2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid

C12H19N3O4S — CID 104894418

IUPAC(2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(O)[C@@H](Cc1cnc[nH]1)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H19N3O4S/c16-12(17)11(6-9-7-13-8-14-9)15-20(18,19)10-4-2-1-3-5-10/h7-8,10-11,15H,1-6H2,(H,13,14)(H,16,17)/t11-/m1/s1
InChIKeyYISDBPBAKSXJDY-LLVKDONJSA-N
MW301.37 g/mol
LogP0.66
Rot. Bonds6

About (2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid

(2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 104894418) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is (2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID104894418
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name(2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(O)[C@@H](Cc1cnc[nH]1)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H19N3O4S/c16-12(17)11(6-9-7-13-8-14-9)15-20(18,19)10-4-2-1-3-5-10/h7-8,10-11,15H,1-6H2,(H,13,14)(H,16,17)/t11-/m1/s1
InChIKeyYISDBPBAKSXJDY-LLVKDONJSA-N
XLogP0.66
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-3-(1H-imidazol-5-yl)-2-[[(1S,3S)-3-sulfocyclopentanecarbonyl]amino]propanoic acid
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3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid (CID 104894418) is (2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid is O=C(O)[C@@H](Cc1cnc[nH]1)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of (2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is YISDBPBAKSXJDY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O4S/c16-12(17)11(6-9-7-13-8-14-9)15-20(18,19)10-4-2-1-3-5-10/h7-8,10-11,15H,1-6H2,(H,13,14)(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
(2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 301.37 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 104894418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).