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

C15H27NO2 — CID 79605804

IUPAC2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCCC(CC)CN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C15H27NO2/c1-3-11(4-2)10-16-13-5-6-14(16)8-12(7-13)9-15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyOOLZLHNYEROGFO-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds6

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

2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79605804) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79605804
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCCC(CC)CN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C15H27NO2/c1-3-11(4-2)10-16-13-5-6-14(16)8-12(7-13)9-15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyOOLZLHNYEROGFO-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[8-(2-ethylbutyl)-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-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608726
2-[8-(2-aminopentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609229
2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606577
2-[8-(4-hydroxybutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606159
2-[8-(1-cyanopropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608666
2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114473215
2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606219
2-[8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 106439304
2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605925
2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114385411
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
2-(8-propan-2-yloxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79608218

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79605804) is 2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CCC(CC)CN1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is OOLZLHNYEROGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-11(4-2)10-16-13-5-6-14(16)8-12(7-13)9-15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79605804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).