5-cyclohexyl-4-(pentanoylamino)pentanoic acid

C16H29NO3 — CID 122056434

IUPAC5-cyclohexyl-4-(pentanoylamino)pentanoic acid
SMILESCCCCC(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-2-3-9-15(18)17-14(10-11-16(19)20)12-13-7-5-4-6-8-13/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20)
InChIKeyYIEJPFIZKZBSKV-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.50
Rot. Bonds9

About 5-cyclohexyl-4-(pentanoylamino)pentanoic acid

5-cyclohexyl-4-(pentanoylamino)pentanoic acid (PubChem CID 122056434) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 5-cyclohexyl-4-(pentanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-(pentanoylamino)pentanoic acid
PubChem CID122056434
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name5-cyclohexyl-4-(pentanoylamino)pentanoic acid
SMILESCCCCC(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-2-3-9-15(18)17-14(10-11-16(19)20)12-13-7-5-4-6-8-13/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20)
InChIKeyYIEJPFIZKZBSKV-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
CID 122056765
5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 122056716
5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
CID 122056700
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-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 122056475
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
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
5-cyclohexyl-4-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]pentanoic acid
CID 122056753

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-(pentanoylamino)pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-(pentanoylamino)pentanoic acid (CID 122056434) is 5-cyclohexyl-4-(pentanoylamino)pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-(pentanoylamino)pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-(pentanoylamino)pentanoic acid is CCCCC(=O)NC(CCC(=O)O)CC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-(pentanoylamino)pentanoic acid?
The InChIKey is YIEJPFIZKZBSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-3-9-15(18)17-14(10-11-16(19)20)12-13-7-5-4-6-8-13/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-cyclohexyl-4-(pentanoylamino)pentanoic acid?
5-cyclohexyl-4-(pentanoylamino)pentanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-(pentanoylamino)pentanoic acid is sourced from PubChem (CID 122056434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).