2-methyladamantane-2-carboxylic acid

C12H18O2 — CID 15357276

IUPAC2-methyladamantane-2-carboxylic acid
SMILESCC1(C(=O)O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18O2/c1-12(11(13)14)9-3-7-2-8(5-9)6-10(12)4-7/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeySAZBTZFOGNIYBW-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.53
Rot. Bonds1

About 2-methyladamantane-2-carboxylic acid

2-methyladamantane-2-carboxylic acid (PubChem CID 15357276) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-methyladamantane-2-carboxylic acid.

Molecular Properties

Compound Name2-methyladamantane-2-carboxylic acid
PubChem CID15357276
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-methyladamantane-2-carboxylic acid
SMILESCC1(C(=O)O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H18O2/c1-12(11(13)14)9-3-7-2-8(5-9)6-10(12)4-7/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeySAZBTZFOGNIYBW-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Adamantanecarboxylic acid
CID 13235
1-Adamantaneacetic acid
CID 123221
Maytenonic acid
CID 169521
19-Trachylobanoic acid
CID 14262763
3-Fluoroadamantane-1-carboxylic acid
CID 13431
1,3-Adamantanedicarboxylic acid
CID 64339
2-(Adamantan-2-yl)acetic acid
CID 870990
2-Adamantanecarboxylic acid
CID 303802
4-Tert-butylcyclohexane-1-carboxylic acid
CID 136759
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

Frequently Asked Questions

What is the IUPAC name of 2-methyladamantane-2-carboxylic acid?
The IUPAC name of 2-methyladamantane-2-carboxylic acid (CID 15357276) is 2-methyladamantane-2-carboxylic acid.
What is the SMILES notation for 2-methyladamantane-2-carboxylic acid?
The canonical SMILES for 2-methyladamantane-2-carboxylic acid is CC1(C(=O)O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-methyladamantane-2-carboxylic acid?
The InChIKey is SAZBTZFOGNIYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(11(13)14)9-3-7-2-8(5-9)6-10(12)4-7/h7-10H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-methyladamantane-2-carboxylic acid?
2-methyladamantane-2-carboxylic acid has a molecular weight of 194.27 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyladamantane-2-carboxylic acid is sourced from PubChem (CID 15357276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).