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

C14H23NO2 — CID 114473215

IUPAC2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESC=C(C)CCN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C14H23NO2/c1-10(2)5-6-15-12-3-4-13(15)8-11(7-12)9-14(16)17/h11-13H,1,3-9H2,2H3,(H,16,17)
InChIKeyOANKELYYVILSNU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.67
Rot. Bonds5

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

2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 114473215) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID114473215
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESC=C(C)CCN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C14H23NO2/c1-10(2)5-6-15-12-3-4-13(15)8-11(7-12)9-14(16)17/h11-13H,1,3-9H2,2H3,(H,16,17)
InChIKeyOANKELYYVILSNU-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 114448981
2-[8-(4-hydroxybutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606159
2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606219
2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114385411
2-[8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 106439304
2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606577
2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605804
2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605925
2-[8-[2-(1-methylpyrazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 103004897
2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606181
2-[8-(2-aminopentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609229
2-[8-[2-oxo-2-(prop-2-ynylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606579

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 114473215) is 2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is C=C(C)CCN1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is OANKELYYVILSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)5-6-15-12-3-4-13(15)8-11(7-12)9-14(16)17/h11-13H,1,3-9H2,2H3,(H,16,17).
What are the key properties of 2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 237.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 114473215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).