3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid

C7H12O4 — CID 10931724

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid
SMILESCC1(CCC(=O)O)OCCO1
InChIInChI=1S/C7H12O4/c1-7(3-2-6(8)9)10-4-5-11-7/h2-5H2,1H3,(H,8,9)
InChIKeyLLYSZAUNEYRNQM-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.61
Rot. Bonds3

About 3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid

3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid (PubChem CID 10931724) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid
PubChem CID10931724
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid
SMILESCC1(CCC(=O)O)OCCO1
InChIInChI=1S/C7H12O4/c1-7(3-2-6(8)9)10-4-5-11-7/h2-5H2,1H3,(H,8,9)
InChIKeyLLYSZAUNEYRNQM-UHFFFAOYSA-N
XLogP0.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methyl-1,3-dioxolan-2-yl)propanoic 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

Ethyl levulinate propyleneglycol ketal
CID 221634
Ethyl glycerin acetal levulinate
CID 249203
Ethyl 2-methyl-1,3-dioxolane-2-propionate
CID 70332
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 11171261
5,8-Dioxaspiro(3.4)octane-2-carboxylic acid
CID 45158798
1,3-Dioxolane-2-propanoic acid, 2-methyl-, methyl ester
CID 560031
1,3-Dioxolane-2-propanoic acid, 2-methyl-, 2-hydroxyethyl ester
CID 11106457
Dihydro-5-hydroxy-5-methyl-2(3h)-furanone
CID 16217609
(2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid
CID 54349651
3-[2-(Trifluoromethyl)-1,3-dioxolan-2-yl]propanoic acid
CID 126578090
Ethyl 3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)propanoate
CID 221651
Methyl 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)propanoate
CID 10035416

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid (CID 10931724) is 3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid is CC1(CCC(=O)O)OCCO1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid?
The InChIKey is LLYSZAUNEYRNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-7(3-2-6(8)9)10-4-5-11-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid?
3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid has a molecular weight of 160.17 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid is sourced from PubChem (CID 10931724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).