2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid

C13H22O3 — CID 167258717

IUPAC2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid
SMILESCC1CC2CC(C(C)C(=O)O)CC(C2)C1O
InChIInChI=1S/C13H22O3/c1-7-3-9-4-10(8(2)13(15)16)6-11(5-9)12(7)14/h7-12,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyPOGSWWCFXJNGRY-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.14
Rot. Bonds2

About 2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid

2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid (PubChem CID 167258717) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid.

Molecular Properties

Compound Name2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid
PubChem CID167258717
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid
SMILESCC1CC2CC(C(C)C(=O)O)CC(C2)C1O
InChIInChI=1S/C13H22O3/c1-7-3-9-4-10(8(2)13(15)16)6-11(5-9)12(7)14/h7-12,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyPOGSWWCFXJNGRY-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
2-(2-adamantylamino)propanoic acid
CID 61499688
2-(2,4,6-trimethylcyclohexyl)propanoic acid
CID 54402316
adamantane-2,4-diol;propan-2-yl formate
CID 175207734
2-[6-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]propanoic acid
CID 140567654
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-yl]propanoic acid
CID 116683695
2-(adamantane-2-carbonylamino)propanoic acid
CID 81095759
(1S,2R,3S,4S,5S,7S)-4-hydroxyadamantane-2-carboxylic acid
CID 100872241
(3R)-2,3-dimethylbicyclo[3.1.1]heptane
CID 143253423
4-methyladamantan-2-ol
CID 590471
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid?
The IUPAC name of 2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid (CID 167258717) is 2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid.
What is the SMILES notation for 2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid?
The canonical SMILES for 2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid is CC1CC2CC(C(C)C(=O)O)CC(C2)C1O.
What is the InChIKey of 2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid?
The InChIKey is POGSWWCFXJNGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-7-3-9-4-10(8(2)13(15)16)6-11(5-9)12(7)14/h7-12,14H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid?
2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid has a molecular weight of 226.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-7-methyl-3-bicyclo[3.3.1]nonanyl)propanoic acid is sourced from PubChem (CID 167258717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).