2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid

C14H26N2O3 — CID 83214006

IUPAC2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid
SMILESCCNC(C)CC(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-15-10(2)9-12(17)16-11-7-5-6-8-14(11,3)13(18)19/h10-11,15H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNZCSTWJAPHSKEZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.52
Rot. Bonds6

About 2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid

2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83214006) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID83214006
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid
SMILESCCNC(C)CC(=O)NC1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-15-10(2)9-12(17)16-11-7-5-6-8-14(11,3)13(18)19/h10-11,15H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNZCSTWJAPHSKEZ-UHFFFAOYSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214456
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213560
2-(3-ethoxypropanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760761
2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 114212381
2-(4-ethoxybutanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760687
1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82765071
1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83213709
3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966735
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437
2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763950

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid (CID 83214006) is 2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid is CCNC(C)CC(=O)NC1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is NZCSTWJAPHSKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-15-10(2)9-12(17)16-11-7-5-6-8-14(11,3)13(18)19/h10-11,15H,4-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid?
2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83214006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).