4-hydroxyadamantane-1-carboxylic acid

C11H16O3 — CID 4552537

IUPAC4-hydroxyadamantane-1-carboxylic acid
SMILESO=C(O)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C11H16O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-9,12H,1-5H2,(H,13,14)
InChIKeyDFNDMKWFBDOGMU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.26
Rot. Bonds1

About 4-hydroxyadamantane-1-carboxylic acid

4-hydroxyadamantane-1-carboxylic acid (PubChem CID 4552537) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxyadamantane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxyadamantane-1-carboxylic acid
PubChem CID4552537
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-hydroxyadamantane-1-carboxylic acid
SMILESO=C(O)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C11H16O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-9,12H,1-5H2,(H,13,14)
InChIKeyDFNDMKWFBDOGMU-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyadamantane-1-carboxylic acid?
The IUPAC name of 4-hydroxyadamantane-1-carboxylic acid (CID 4552537) is 4-hydroxyadamantane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxyadamantane-1-carboxylic acid?
The canonical SMILES for 4-hydroxyadamantane-1-carboxylic acid is O=C(O)C12CC3CC(C1)C(O)C(C3)C2.
What is the InChIKey of 4-hydroxyadamantane-1-carboxylic acid?
The InChIKey is DFNDMKWFBDOGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-9,12H,1-5H2,(H,13,14).
What are the key properties of 4-hydroxyadamantane-1-carboxylic acid?
4-hydroxyadamantane-1-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyadamantane-1-carboxylic acid is sourced from PubChem (CID 4552537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).