4-methyloxolane-3-carboxylic acid

C6H10O3 — CID 83669962

IUPAC4-methyloxolane-3-carboxylic acid
SMILESCC1COCC1C(=O)O
InChIInChI=1S/C6H10O3/c1-4-2-9-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyHYFLJRAKYMMEEJ-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.35
Rot. Bonds1

About 4-methyloxolane-3-carboxylic acid

4-methyloxolane-3-carboxylic acid (PubChem CID 83669962) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 4-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-methyloxolane-3-carboxylic acid
PubChem CID83669962
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name4-methyloxolane-3-carboxylic acid
SMILESCC1COCC1C(=O)O
InChIInChI=1S/C6H10O3/c1-4-2-9-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyHYFLJRAKYMMEEJ-UHFFFAOYSA-N
XLogP0.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-oxolane-3,4-dicarboxylic acid
CID 45084963
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-(2-methylpropyl)oxolane-3-carboxylic acid
CID 84766287
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
cis-(1R,4S)-2,5-dimethylcyclohexane-1,4-dicarboxylic acid
CID 22841267
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175660
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267321
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661

Frequently Asked Questions

What is the IUPAC name of 4-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-methyloxolane-3-carboxylic acid (CID 83669962) is 4-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-methyloxolane-3-carboxylic acid is CC1COCC1C(=O)O.
What is the InChIKey of 4-methyloxolane-3-carboxylic acid?
The InChIKey is HYFLJRAKYMMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-2-9-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 4-methyloxolane-3-carboxylic acid?
4-methyloxolane-3-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 83669962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).