(3R)-2,2-dimethyloxolane-3-carboxylic acid

C7H12O3 — CID 124539892

IUPAC(3R)-2,2-dimethyloxolane-3-carboxylic acid
SMILESCC1(C)OCC[C@H]1C(=O)O
InChIInChI=1S/C7H12O3/c1-7(2)5(6(8)9)3-4-10-7/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyUMNSNBRDICMZHL-YFKPBYRVSA-N
MW144.17 g/mol
LogP0.89
Rot. Bonds1

About (3R)-2,2-dimethyloxolane-3-carboxylic acid

(3R)-2,2-dimethyloxolane-3-carboxylic acid (PubChem CID 124539892) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R)-2,2-dimethyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2,2-dimethyloxolane-3-carboxylic acid
PubChem CID124539892
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3R)-2,2-dimethyloxolane-3-carboxylic acid
SMILESCC1(C)OCC[C@H]1C(=O)O
InChIInChI=1S/C7H12O3/c1-7(2)5(6(8)9)3-4-10-7/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyUMNSNBRDICMZHL-YFKPBYRVSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyloxolane-3-carboxylic acid
CID 21133941
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
7-methyl-1-oxaspiro[4.5]decane-4-carboxylic acid
CID 165459999
1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid
CID 164653141
2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid
CID 105481638
(4R)-3,3-dihydroxydioxane-4-carboxylic acid
CID 102182631
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
4,4-dimethyloxane-3-carboxylic acid
CID 83669967
3-ethenyl-2,2-dimethyloxolane
CID 70126391
(1R)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 143623982

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyloxolane-3-carboxylic acid?
The IUPAC name of (3R)-2,2-dimethyloxolane-3-carboxylic acid (CID 124539892) is (3R)-2,2-dimethyloxolane-3-carboxylic acid.
What is the SMILES notation for (3R)-2,2-dimethyloxolane-3-carboxylic acid?
The canonical SMILES for (3R)-2,2-dimethyloxolane-3-carboxylic acid is CC1(C)OCC[C@H]1C(=O)O.
What is the InChIKey of (3R)-2,2-dimethyloxolane-3-carboxylic acid?
The InChIKey is UMNSNBRDICMZHL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(2)5(6(8)9)3-4-10-7/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (3R)-2,2-dimethyloxolane-3-carboxylic acid?
(3R)-2,2-dimethyloxolane-3-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyloxolane-3-carboxylic acid is sourced from PubChem (CID 124539892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).