2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid

C8H14O4 — CID 12574429

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
SMILESCC(C(=O)O)C1COC(C)(C)O1
InChIInChI=1S/C8H14O4/c1-5(7(9)10)6-4-11-8(2,3)12-6/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyAPVORZIIXNDVBZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.86
Rot. Bonds2

About 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid

2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid (PubChem CID 12574429) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
PubChem CID12574429
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
SMILESCC(C(=O)O)C1COC(C)(C)O1
InChIInChI=1S/C8H14O4/c1-5(7(9)10)6-4-11-8(2,3)12-6/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyAPVORZIIXNDVBZ-UHFFFAOYSA-N
XLogP0.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid (CID 12574429) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid is CC(C(=O)O)C1COC(C)(C)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
The InChIKey is APVORZIIXNDVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-5(7(9)10)6-4-11-8(2,3)12-6/h5-6H,4H2,1-3H3,(H,9,10).
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid is sourced from PubChem (CID 12574429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).