5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid

C16H29NO5S — CID 122056716

IUPAC5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
SMILESCCCS(=O)(=O)CC(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C16H29NO5S/c1-2-10-23(21,22)12-15(18)17-14(8-9-16(19)20)11-13-6-4-3-5-7-13/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20)
InChIKeyDJUBGXUPRVMULB-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.13
Rot. Bonds10

About 5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid

5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid (PubChem CID 122056716) has the molecular formula C16H29NO5S and a molecular weight of 347.48 g/mol. Its IUPAC name is 5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
PubChem CID122056716
Molecular FormulaC16H29NO5S
Molecular Weight347.48 g/mol
Exact Mass347.18
IUPAC Name5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
SMILESCCCS(=O)(=O)CC(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C16H29NO5S/c1-2-10-23(21,22)12-15(18)17-14(8-9-16(19)20)11-13-6-4-3-5-7-13/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20)
InChIKeyDJUBGXUPRVMULB-UHFFFAOYSA-N
XLogP2.13
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
4-[(2-tert-butylsulfonylacetyl)amino]-5-cyclohexylpentanoic acid
CID 122056936
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 122056670
5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 122056687
5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
CID 122056700
5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
CID 122056765
5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 122056649
5-cyclohexyl-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 122056475
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439
3-[2-(cycloheptylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 62575643
5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 122056791

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid (CID 122056716) is 5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid is CCCS(=O)(=O)CC(=O)NC(CCC(=O)O)CC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid?
The InChIKey is DJUBGXUPRVMULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5S/c1-2-10-23(21,22)12-15(18)17-14(8-9-16(19)20)11-13-6-4-3-5-7-13/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid?
5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid has a molecular weight of 347.48 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid is sourced from PubChem (CID 122056716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).