(5S,7R)-3-hydroxyadamantane-1-carboxylic acid

C11H16O3 — CID 677006

IUPAC(5S,7R)-3-hydroxyadamantane-1-carboxylic acid
SMILESO=C(O)C12C[C@@H]3C[C@@H](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)/t7-,8+,10?,11?
InChIKeyCJJMAWPEZKYJAP-JZVMUCMXSA-N
MW196.25 g/mol
LogP1.40
Rot. Bonds1

About (5S,7R)-3-hydroxyadamantane-1-carboxylic acid

(5S,7R)-3-hydroxyadamantane-1-carboxylic acid (PubChem CID 677006) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (5S,7R)-3-hydroxyadamantane-1-carboxylic acid.

Molecular Properties

Compound Name(5S,7R)-3-hydroxyadamantane-1-carboxylic acid
PubChem CID677006
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(5S,7R)-3-hydroxyadamantane-1-carboxylic acid
SMILESO=C(O)C12C[C@@H]3C[C@@H](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)/t7-,8+,10?,11?
InChIKeyCJJMAWPEZKYJAP-JZVMUCMXSA-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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Related Compounds

Idramantone
CID 64184
1-Adamantanecarboxylic acid
CID 13235
1-Adamantaneacetic acid
CID 123221
3-Fluoroadamantane-1-carboxylic acid
CID 13431
3-Ethyladamantane-1-carboxylic acid
CID 2736354
3,5,7-Trimethyladamantane-1-carboxylic acid
CID 2802268
Tricyclo(3.3.1.13,7)dec-1,3-diyldi(acetic acid)
CID 86624
3,5-Dimethyladamantane-1-carboxylic acid
CID 2736224
3-Hydroxyadamantane-1-carboxylic acid
CID 2736518
1-Adamantanebutyric acid, gamma-oxo-
CID 64171
3-Methyladamantane-1-carboxylic acid
CID 286125
2-(3-Hydroxyadamantan-1-yl)acetic acid
CID 429307

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-hydroxyadamantane-1-carboxylic acid?
The IUPAC name of (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (CID 677006) is (5S,7R)-3-hydroxyadamantane-1-carboxylic acid.
What is the SMILES notation for (5S,7R)-3-hydroxyadamantane-1-carboxylic acid?
The canonical SMILES for (5S,7R)-3-hydroxyadamantane-1-carboxylic acid is O=C(O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5S,7R)-3-hydroxyadamantane-1-carboxylic acid?
The InChIKey is CJJMAWPEZKYJAP-JZVMUCMXSA-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)/t7-,8+,10?,11?.
What are the key properties of (5S,7R)-3-hydroxyadamantane-1-carboxylic acid?
(5S,7R)-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 (5S,7R)-3-hydroxyadamantane-1-carboxylic acid is sourced from PubChem (CID 677006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).