5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid

C15H27NO5S — CID 122056687

IUPAC5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
SMILESCC(C(=O)NC(CCC(=O)O)CC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H27NO5S/c1-11(22(2,20)21)15(19)16-13(8-9-14(17)18)10-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWGXRETXMRJHOFY-UHFFFAOYSA-N
MW333.45 g/mol
LogP1.74
Rot. Bonds8

About 5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid

5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid (PubChem CID 122056687) has the molecular formula C15H27NO5S and a molecular weight of 333.45 g/mol. Its IUPAC name is 5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
PubChem CID122056687
Molecular FormulaC15H27NO5S
Molecular Weight333.45 g/mol
Exact Mass333.16
IUPAC Name5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
SMILESCC(C(=O)NC(CCC(=O)O)CC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H27NO5S/c1-11(22(2,20)21)15(19)16-13(8-9-14(17)18)10-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWGXRETXMRJHOFY-UHFFFAOYSA-N
XLogP1.74
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 122056670
5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
CID 122056700
5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 122056716
4-[(2-tert-butylsulfonylacetyl)amino]-5-cyclohexylpentanoic acid
CID 122056936
5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 122056649
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
CID 122056765
5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
CID 122056821
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439
5-cyclohexyl-4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]pentanoic acid
CID 122056748
4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
CID 122056610

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid (CID 122056687) is 5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid is CC(C(=O)NC(CCC(=O)O)CC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid?
The InChIKey is WGXRETXMRJHOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5S/c1-11(22(2,20)21)15(19)16-13(8-9-14(17)18)10-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid?
5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid has a molecular weight of 333.45 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid is sourced from PubChem (CID 122056687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).