3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid

C8H10O5 — CID 140586637

IUPAC3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESO=C(O)C1C(O)CC2C(C(=O)O)C21
InChIInChI=1S/C8H10O5/c9-3-1-2-4(5(2)7(10)11)6(3)8(12)13/h2-6,9H,1H2,(H,10,11)(H,12,13)
InChIKeyIWPVVCUKGJTIKG-UHFFFAOYSA-N
MW186.16 g/mol
LogP-0.60
Rot. Bonds2

About 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid

3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid (PubChem CID 140586637) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
PubChem CID140586637
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESO=C(O)C1C(O)CC2C(C(=O)O)C21
InChIInChI=1S/C8H10O5/c9-3-1-2-4(5(2)7(10)11)6(3)8(12)13/h2-6,9H,1H2,(H,10,11)(H,12,13)
InChIKeyIWPVVCUKGJTIKG-UHFFFAOYSA-N
XLogP-0.60
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic 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

4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid
CID 171036181
(1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 98523903
(1R,2R,3S,4R,5R)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 130754555
(1S,2R,3S,5R,6R,8R,9R,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4-carboxylic acid
CID 98126025
(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
CID 55300462
(1R,2R,3S,5R,6R,8R,9R,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4-carboxylic acid
CID 98126024
(1R,2S,3R,4S,5R,6R)-5-chlorotricyclo[2.2.1.02,6]heptane-3-carboxylic acid
CID 98141134
(1S,2S,3R,4S,5R,6R)-5-chlorotricyclo[2.2.1.02,6]heptane-3-carboxylic acid
CID 98194764
(1S,3R,5S,6R)-tricyclo[3.2.1.03,6]octane-2-carboxylic acid
CID 131034566
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
(2S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 134081589
(1S,2S,5S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 98557571

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The IUPAC name of 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid (CID 140586637) is 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid.
What is the SMILES notation for 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The canonical SMILES for 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid is O=C(O)C1C(O)CC2C(C(=O)O)C21.
What is the InChIKey of 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The InChIKey is IWPVVCUKGJTIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c9-3-1-2-4(5(2)7(10)11)6(3)8(12)13/h2-6,9H,1H2,(H,10,11)(H,12,13).
What are the key properties of 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid has a molecular weight of 186.16 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid is sourced from PubChem (CID 140586637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).