(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid

C8H12O3 — CID 12618488

IUPAC(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]2C[C@H]1[C@@H](O)C2
InChIInChI=1S/C8H12O3/c9-7-3-4-1-5(7)6(2-4)8(10)11/h4-7,9H,1-3H2,(H,10,11)/t4-,5+,6+,7-/m0/s1
InChIKeyCDWUOMPODCPJRS-WNJXEPBRSA-N
MW156.18 g/mol
LogP0.48
Rot. Bonds1

About (1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid

(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 12618488) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID12618488
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]2C[C@H]1[C@@H](O)C2
InChIInChI=1S/C8H12O3/c9-7-3-4-1-5(7)6(2-4)8(10)11/h4-7,9H,1-3H2,(H,10,11)/t4-,5+,6+,7-/m0/s1
InChIKeyCDWUOMPODCPJRS-WNJXEPBRSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4S)-6-hydroxybicyclo[2.2.2]octane-2-carboxylic acid
CID 55251773
(1R,2R,4R,6S)-6-hydroxybicyclo[2.2.2]octane-2-carboxylic acid
CID 6934631
methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate
CID 99564434
(1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide
CID 130754169
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
(1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide
CID 130992166
2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
6-triethoxysilylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 91338067
(1S,2S,4R,6S)-6-hydroxybicyclo[2.2.2]octane-2-carboxamide
CID 130754174
trans-(1R,2R)-cyclopentane-1,2,3,4-tetracarboxylic acid
CID 54441949

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid (CID 12618488) is (1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H]2C[C@H]1[C@@H](O)C2.
What is the InChIKey of (1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is CDWUOMPODCPJRS-WNJXEPBRSA-N. The full InChI is InChI=1S/C8H12O3/c9-7-3-4-1-5(7)6(2-4)8(10)11/h4-7,9H,1-3H2,(H,10,11)/t4-,5+,6+,7-/m0/s1.
What are the key properties of (1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 12618488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).