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

C16H29NO4 — CID 122056700

IUPAC5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
SMILESCCOC(C)C(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C16H29NO4/c1-3-21-12(2)16(20)17-14(9-10-15(18)19)11-13-7-5-4-6-8-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXIMRWTNKENPXSU-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.73
Rot. Bonds9

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

5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid (PubChem CID 122056700) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
PubChem CID122056700
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
SMILESCCOC(C)C(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C16H29NO4/c1-3-21-12(2)16(20)17-14(9-10-15(18)19)11-13-7-5-4-6-8-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXIMRWTNKENPXSU-UHFFFAOYSA-N
XLogP2.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 122056687
5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 122056716
5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
CID 122056765
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
4-[(2-tert-butylsulfonylacetyl)amino]-5-cyclohexylpentanoic acid
CID 122056936
N-cyclohexyl-2-ethoxypropanamide
CID 137320539
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439
5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 122056670
5-cyclohexyl-4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]pentanoic acid
CID 122056748
5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 122056649

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid (CID 122056700) is 5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid is CCOC(C)C(=O)NC(CCC(=O)O)CC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid?
The InChIKey is XIMRWTNKENPXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-3-21-12(2)16(20)17-14(9-10-15(18)19)11-13-7-5-4-6-8-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid?
5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid has a molecular weight of 299.41 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid is sourced from PubChem (CID 122056700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).