(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid

C8H10O2 — CID 55300462

IUPAC(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
SMILESO=C(O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2
InChIInChI=1S/C8H10O2/c9-8(10)6-3-1-4-5(2-3)7(4)6/h3-7H,1-2H2,(H,9,10)/t3?,4-,5+,6-,7?/m1/s1
InChIKeyHUVFUOHAFNPPOE-CXJSFISGSA-N
MW138.17 g/mol
LogP0.97
Rot. Bonds1

About (1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid

(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid (PubChem CID 55300462) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
PubChem CID55300462
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
SMILESO=C(O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2
InChIInChI=1S/C8H10O2/c9-8(10)6-3-1-4-5(2-3)7(4)6/h3-7H,1-2H2,(H,9,10)/t3?,4-,5+,6-,7?/m1/s1
InChIKeyHUVFUOHAFNPPOE-CXJSFISGSA-N
XLogP0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid?
The IUPAC name of (1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid (CID 55300462) is (1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid.
What is the SMILES notation for (1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid?
The canonical SMILES for (1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid is O=C(O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2.
What is the InChIKey of (1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid?
The InChIKey is HUVFUOHAFNPPOE-CXJSFISGSA-N. The full InChI is InChI=1S/C8H10O2/c9-8(10)6-3-1-4-5(2-3)7(4)6/h3-7H,1-2H2,(H,9,10)/t3?,4-,5+,6-,7?/m1/s1.
What are the key properties of (1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid?
(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid has a molecular weight of 138.17 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid is sourced from PubChem (CID 55300462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).