4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 62838707

IUPAC4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid
SMILESCCNC(C)CC(=O)NC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C15H28N2O3/c1-4-12-6-8-15(9-7-12,14(19)20)17-13(18)10-11(3)16-5-2/h11-12,16H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeySBOWEIMMGZJQEJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.91
Rot. Bonds7

About 4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid

4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 62838707) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid
PubChem CID62838707
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid
SMILESCCNC(C)CC(=O)NC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C15H28N2O3/c1-4-12-6-8-15(9-7-12,14(19)20)17-13(18)10-11(3)16-5-2/h11-12,16H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeySBOWEIMMGZJQEJ-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methylcyclohexane-1-carbonyl)-L-leucine
CID 7023893
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737
1-Acetamido-4-methylcyclohexane-1-carboxylic acid
CID 43163090
N-[(4-methylcyclohexyl)carbonyl]leucine
CID 4334435
3-Methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid
CID 5114469
2-Acetamido-2-cyclohexylacetic acid
CID 9794212
3-Cyclohexyl-2-acetamidopropanoic acid
CID 10965857
(2S)-3-cyclohexyl-2-acetamidopropanoic acid
CID 54153509
(2S)-4-methyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]pentanoic acid
CID 40965482
(2R)-4-methyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]pentanoic acid
CID 40965484

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid (CID 62838707) is 4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid is CCNC(C)CC(=O)NC1(C(=O)O)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SBOWEIMMGZJQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-12-6-8-15(9-7-12,14(19)20)17-13(18)10-11(3)16-5-2/h11-12,16H,4-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[3-(ethylamino)butanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62838707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).