4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid

C15H27NO3 — CID 43341491

IUPAC4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCCC(=O)NC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C15H27NO3/c1-3-5-6-7-13(17)16-15(14(18)19)10-8-12(4-2)9-11-15/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyURVNEPBSCMGILB-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.11
Rot. Bonds7

About 4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid

4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 43341491) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
PubChem CID43341491
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCCC(=O)NC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C15H27NO3/c1-3-5-6-7-13(17)16-15(14(18)19)10-8-12(4-2)9-11-15/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyURVNEPBSCMGILB-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
1-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
4-ethyl-1-[(2-propan-2-ylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 43172614
1-(butanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43163089
1-[[(E)-octadec-9-enoyl]amino]cyclohexane-1-carboxylic acid
CID 110188216
4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid
CID 62838707
4-ethyl-1-[[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120530140
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 62845996

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid (CID 43341491) is 4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid is CCCCCC(=O)NC1(C(=O)O)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is URVNEPBSCMGILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-5-6-7-13(17)16-15(14(18)19)10-8-12(4-2)9-11-15/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).