2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid

C11H18O2 — CID 115016227

IUPAC2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid
SMILESCC1CC2CCC(C1)C2CC(=O)O
InChIInChI=1S/C11H18O2/c1-7-4-8-2-3-9(5-7)10(8)6-11(12)13/h7-10H,2-6H2,1H3,(H,12,13)
InChIKeyMUAUGAIWWQFUGZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid

2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid (PubChem CID 115016227) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid
PubChem CID115016227
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid
SMILESCC1CC2CCC(C1)C2CC(=O)O
InChIInChI=1S/C11H18O2/c1-7-4-8-2-3-9(5-7)10(8)6-11(12)13/h7-10H,2-6H2,1H3,(H,12,13)
InChIKeyMUAUGAIWWQFUGZ-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid?
The IUPAC name of 2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid (CID 115016227) is 2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid.
What is the SMILES notation for 2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid?
The canonical SMILES for 2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid is CC1CC2CCC(C1)C2CC(=O)O.
What is the InChIKey of 2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid?
The InChIKey is MUAUGAIWWQFUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-7-4-8-2-3-9(5-7)10(8)6-11(12)13/h7-10H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid?
2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid has a molecular weight of 182.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-8-bicyclo[3.2.1]octanyl)acetic acid is sourced from PubChem (CID 115016227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).