2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C17H29NO2 — CID 79605844

IUPAC2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCCC1CCCCC1N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C17H29NO2/c1-2-13-5-3-4-6-16(13)18-14-7-8-15(18)10-12(9-14)11-17(19)20/h12-16H,2-11H2,1H3,(H,19,20)
InChIKeyBBVQBFDLUFBZLJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.67
Rot. Bonds4

About 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79605844) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79605844
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCCC1CCCCC1N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C17H29NO2/c1-2-13-5-3-4-6-16(13)18-14-7-8-15(18)10-12(9-14)11-17(19)20/h12-16H,2-11H2,1H3,(H,19,20)
InChIKeyBBVQBFDLUFBZLJ-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606181
2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606577
1-(4-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66469308
2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615363
2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605804
carbonic acid;1,2-diethylcyclohexane
CID 70579518
2-[8-(oxane-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79614863
2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106814125
2-(2-ethylcyclohexyl)sulfanylacetic acid
CID 63862645
2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608726
2-[8-[(E)-4-aminobut-2-enoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 112746836
2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 104855839

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79605844) is 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CCC1CCCCC1N1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is BBVQBFDLUFBZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-13-5-3-4-6-16(13)18-14-7-8-15(18)10-12(9-14)11-17(19)20/h12-16H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 279.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79605844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).