3-hydroxyadamantane-1-carboxylic acid

C11H16O3 — CID 2736518

IUPAC3-hydroxyadamantane-1-carboxylic acid
SMILESO=C(O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13)
InChIKeyCJJMAWPEZKYJAP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.40
Rot. Bonds1

About 3-hydroxyadamantane-1-carboxylic acid

3-hydroxyadamantane-1-carboxylic acid (PubChem CID 2736518) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-hydroxyadamantane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxyadamantane-1-carboxylic acid
PubChem CID2736518
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-hydroxyadamantane-1-carboxylic acid
SMILESO=C(O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13)
InChIKeyCJJMAWPEZKYJAP-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyadamantane-1-carboxylic acid?
The IUPAC name of 3-hydroxyadamantane-1-carboxylic acid (CID 2736518) is 3-hydroxyadamantane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxyadamantane-1-carboxylic acid?
The canonical SMILES for 3-hydroxyadamantane-1-carboxylic acid is O=C(O)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-hydroxyadamantane-1-carboxylic acid?
The InChIKey is CJJMAWPEZKYJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13).
What are the key properties of 3-hydroxyadamantane-1-carboxylic acid?
3-hydroxyadamantane-1-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyadamantane-1-carboxylic acid is sourced from PubChem (CID 2736518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).