3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid

C13H23NO3 — CID 79637267

IUPAC3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(OC2CCC2)C1
InChIInChI=1S/C13H23NO3/c1-2-14-13(12(15)16)8-4-7-11(9-13)17-10-5-3-6-10/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyQWEHVORQYBLLDB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.93
Rot. Bonds5

About 3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid

3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid (PubChem CID 79637267) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
PubChem CID79637267
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(OC2CCC2)C1
InChIInChI=1S/C13H23NO3/c1-2-14-13(12(15)16)8-4-7-11(9-13)17-10-5-3-6-10/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyQWEHVORQYBLLDB-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637616
1-(ethylamino)-3-heptoxycyclohexane-1-carboxylic acid
CID 79638071
1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 79638153
1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 79637650
3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637128
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768
1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873087
1-(ethylamino)-3-ethylsulfanylcyclohexane-1-carboxylic acid
CID 79638049
3-pentoxy-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79637343
1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873019
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylic acid
CID 81074828
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641743

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid (CID 79637267) is 3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid is CCNC1(C(=O)O)CCCC(OC2CCC2)C1.
What is the InChIKey of 3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is QWEHVORQYBLLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-14-13(12(15)16)8-4-7-11(9-13)17-10-5-3-6-10/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid?
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79637267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).