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

C18H31NO5S — CID 122056704

IUPAC5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
SMILESO=C(O)CCC(CC1CCCCC1)NC(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C18H31NO5S/c20-17(13-25(23,24)16-8-4-5-9-16)19-15(10-11-18(21)22)12-14-6-2-1-3-7-14/h14-16H,1-13H2,(H,19,20)(H,21,22)
InChIKeyOKDQWDJRUNNTAO-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.66
Rot. Bonds9

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

5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid (PubChem CID 122056704) has the molecular formula C18H31NO5S and a molecular weight of 373.52 g/mol. Its IUPAC name is 5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
PubChem CID122056704
Molecular FormulaC18H31NO5S
Molecular Weight373.52 g/mol
Exact Mass373.19
IUPAC Name5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
SMILESO=C(O)CCC(CC1CCCCC1)NC(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C18H31NO5S/c20-17(13-25(23,24)16-8-4-5-9-16)19-15(10-11-18(21)22)12-14-6-2-1-3-7-14/h14-16H,1-13H2,(H,19,20)(H,21,22)
InChIKeyOKDQWDJRUNNTAO-UHFFFAOYSA-N
XLogP2.66
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-tert-butylsulfonylacetyl)amino]-5-cyclohexylpentanoic acid
CID 122056936
5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 122056716
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
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-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
CID 122056765
2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid
CID 119213913
5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 122056649
5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
CID 122056700
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439
5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 122056791
5-cyclohexyl-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 122056475

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid (CID 122056704) is 5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid is O=C(O)CCC(CC1CCCCC1)NC(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of 5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid?
The InChIKey is OKDQWDJRUNNTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO5S/c20-17(13-25(23,24)16-8-4-5-9-16)19-15(10-11-18(21)22)12-14-6-2-1-3-7-14/h14-16H,1-13H2,(H,19,20)(H,21,22).
What are the key properties of 5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid?
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid has a molecular weight of 373.52 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid is sourced from PubChem (CID 122056704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).