2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid

C12H20O3 — CID 3439780

IUPAC2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESCC1(C)C2CCC1(C)C(O)(CC(=O)O)C2
InChIInChI=1S/C12H20O3/c1-10(2)8-4-5-11(10,3)12(15,6-8)7-9(13)14/h8,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyHBWSRVTVYLQCPC-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.04
Rot. Bonds2

About 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid

2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid (PubChem CID 3439780) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
PubChem CID3439780
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESCC1(C)C2CCC1(C)C(O)(CC(=O)O)C2
InChIInChI=1S/C12H20O3/c1-10(2)8-4-5-11(10,3)12(15,6-8)7-9(13)14/h8,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyHBWSRVTVYLQCPC-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3a-Hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,4,5,6,7,7a-hexahydroindene-4-carboxylic acid
CID 60208863
4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylic acid
CID 86758
3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
CID 296629
Camphocarboxylic acid
CID 12302340
2-Oxobornane-3-carboxylic acid
CID 55250421
2-Bornanecarboxylic acid
CID 565594
(1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid
CID 20327362
2-{2-Hydroxybicyclo[2.2.1]heptan-2-yl}acetic acid
CID 14958326
3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 2750884
(1R,4S)-1,3,3-trimethylbicyclo(2.2.1)heptane-2-carboxylic acid
CID 130934448
2-Hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 2770860
Cambridge id 7203699
CID 23679227

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The IUPAC name of 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid (CID 3439780) is 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid is CC1(C)C2CCC1(C)C(O)(CC(=O)O)C2.
What is the InChIKey of 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
The InChIKey is HBWSRVTVYLQCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(2)8-4-5-11(10,3)12(15,6-8)7-9(13)14/h8,15H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid?
2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid has a molecular weight of 212.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid is sourced from PubChem (CID 3439780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).