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

Analyze 4-methyloxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Oxooxolane-3-carboxylic acid
CID 315162
(R)-Tetrahydro-3-furoic acid
CID 4661317
3-Furancarboxylic acid, tetrahydro-2-oxo-, ethyl ester
CID 79134
Methyl 2-oxooxolane-3-carboxylate
CID 315161
4-(Hydroxymethyl)oxolan-2-one
CID 9964081
Methyl oxolane-3-carboxylate
CID 10678263
2-Oxooxolane-4-carboxylic acid
CID 11051676
3-(Hydroxymethyl)oxolan-2-one
CID 12664700
Ethyl 5-oxooxolane-3-carboxylate
CID 21586084
(3S)-oxolane-3-carboxylic acid
CID 40784874
Ethyl 2-(hydroxymethyl)butanoate
CID 313515
3-Methyl-5-oxooxolane-3-carboxylic acid
CID 55303439

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).