(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid

C11H18O3 — CID 131115230

IUPAC(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid
SMILESC[C@]12C[C@@H](C(=O)O)[C@](C)(CC[C@H]1O)C2
InChIInChI=1S/C11H18O3/c1-10-4-3-8(12)11(2,6-10)5-7(10)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,10+,11+/m0/s1
InChIKeyAUUCDKBKTLEQCH-SCVMZPAESA-N
MW198.26 g/mol
LogP1.65
Rot. Bonds1

About (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid

(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid (PubChem CID 131115230) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid
PubChem CID131115230
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid
SMILESC[C@]12C[C@@H](C(=O)O)[C@](C)(CC[C@H]1O)C2
InChIInChI=1S/C11H18O3/c1-10-4-3-8(12)11(2,6-10)5-7(10)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,10+,11+/m0/s1
InChIKeyAUUCDKBKTLEQCH-SCVMZPAESA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic 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

(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98523902
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
7-hydroxyspiro[2.4]heptane-2-carboxylic acid
CID 105430467
4,4-dimethylpiperidine-3-carboxylic acid
CID 83669924
(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 6558363
(1R,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 162902598
(1S,2R,5R,8R,9S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 162902597
2-cyclopentyl-2-methylcyclopropane-1-carboxylic acid
CID 62633940
cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 45084905

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid?
The IUPAC name of (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid (CID 131115230) is (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid.
What is the SMILES notation for (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid?
The canonical SMILES for (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid is C[C@]12C[C@@H](C(=O)O)[C@](C)(CC[C@H]1O)C2.
What is the InChIKey of (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid?
The InChIKey is AUUCDKBKTLEQCH-SCVMZPAESA-N. The full InChI is InChI=1S/C11H18O3/c1-10-4-3-8(12)11(2,6-10)5-7(10)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,10+,11+/m0/s1.
What are the key properties of (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid?
(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid is sourced from PubChem (CID 131115230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).