2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid

C8H12O4 — CID 140997258

IUPAC2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)C12CCC(C1)C(O)C2O
InChIInChI=1S/C8H12O4/c9-5-4-1-2-8(3-4,6(5)10)7(11)12/h4-6,9-10H,1-3H2,(H,11,12)
InChIKeyAYJJHVRKJUYNDB-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.41
Rot. Bonds1

About 2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid

2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 140997258) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID140997258
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)C12CCC(C1)C(O)C2O
InChIInChI=1S/C8H12O4/c9-5-4-1-2-8(3-4,6(5)10)7(11)12/h4-6,9-10H,1-3H2,(H,11,12)
InChIKeyAYJJHVRKJUYNDB-UHFFFAOYSA-N
XLogP-0.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid
CID 130002685
1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol
CID 85373343
1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid
CID 127019039
1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid
CID 115027968
4-(4,4-dicarboxycyclohexyl)cyclohexane-1,1-dicarboxylic acid
CID 69129361
4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid
CID 175206014
[(1R,2R,3S,4R)-2,3-dihydroxy-1-bicyclo[2.2.1]heptanyl]-[2-methyl-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 167871815
3-methylbicyclo[4.1.0]heptane-3-carboxylic acid
CID 59761129
4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid
CID 84660141
(8R,9R,10S,13R,14S)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-13-carboxylic acid
CID 150834881
1-(2-hydroxycycloheptyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428358
(1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid
CID 134917059

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid (CID 140997258) is 2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid is O=C(O)C12CCC(C1)C(O)C2O.
What is the InChIKey of 2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is AYJJHVRKJUYNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c9-5-4-1-2-8(3-4,6(5)10)7(11)12/h4-6,9-10H,1-3H2,(H,11,12).
What are the key properties of 2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid?
2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 140997258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).