2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid

C12H20O3 — CID 148550736

IUPAC2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid
SMILESCC1CC2CCCC(C(O)C(=O)O)(C1)C2
InChIInChI=1S/C12H20O3/c1-8-5-9-3-2-4-12(6-8,7-9)10(13)11(14)15/h8-10,13H,2-7H2,1H3,(H,14,15)
InChIKeyMTCFCILYFQBMNQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.04
Rot. Bonds2

About 2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid

2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid (PubChem CID 148550736) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid
PubChem CID148550736
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid
SMILESCC1CC2CCCC(C(O)C(=O)O)(C1)C2
InChIInChI=1S/C12H20O3/c1-8-5-9-3-2-4-12(6-8,7-9)10(13)11(14)15/h8-10,13H,2-7H2,1H3,(H,14,15)
InChIKeyMTCFCILYFQBMNQ-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

1-[1-(2-bicyclo[2.2.1]heptanyloxy)ethyl]-3-methylbicyclo[3.3.1]nonane
CID 71135602
2-(benzylamino)-2-[(1R)-3-methyl-1-bicyclo[3.3.1]nonanyl]acetonitrile;methanol
CID 142085492
3-methylbicyclo[3.3.1]nonane-1-carbaldehyde
CID 123691668
5-tert-butyl-1-cyclohexyl-2-methyl-N-[1-(3-methyl-1-bicyclo[3.3.1]nonanyl)ethyl]-4,5,6,7-tetrahydro-3H-indazole-3-carboxamide
CID 143116629
2-(3-ethyl-1-bicyclo[3.3.1]nonanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 123948272
1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine
CID 123905764
1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine
CID 166955946
1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane
CID 139399772
1-(1-methoxyethoxymethyl)-3-methylbicyclo[3.3.1]nonane
CID 138626206
2-amino-2-hydroxyacetic acid;methylcyclopropane
CID 67301072
2-[3-(1-carboxyethyl)-1-adamantyl]propanoic acid
CID 170199454
2-(1-adamantyl)propanedioic acid;methane
CID 158035094

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid (CID 148550736) is 2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid is CC1CC2CCCC(C(O)C(=O)O)(C1)C2.
What is the InChIKey of 2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid?
The InChIKey is MTCFCILYFQBMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-8-5-9-3-2-4-12(6-8,7-9)10(13)11(14)15/h8-10,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid?
2-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)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-hydroxy-2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetic acid is sourced from PubChem (CID 148550736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).