2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid

C8H12O5 — CID 20679214

IUPAC2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid
SMILESCC(C(=O)O)C1OC(C)(C)OC1=O
InChIInChI=1S/C8H12O5/c1-4(6(9)10)5-7(11)13-8(2,3)12-5/h4-5H,1-3H3,(H,9,10)
InChIKeyDPAZOQHITBZWNH-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.39
Rot. Bonds2

About 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid

2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid (PubChem CID 20679214) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid
PubChem CID20679214
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid
SMILESCC(C(=O)O)C1OC(C)(C)OC1=O
InChIInChI=1S/C8H12O5/c1-4(6(9)10)5-7(11)13-8(2,3)12-5/h4-5H,1-3H3,(H,9,10)
InChIKeyDPAZOQHITBZWNH-UHFFFAOYSA-N
XLogP0.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid?
The IUPAC name of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid (CID 20679214) is 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid.
What is the SMILES notation for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid?
The canonical SMILES for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid is CC(C(=O)O)C1OC(C)(C)OC1=O.
What is the InChIKey of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid?
The InChIKey is DPAZOQHITBZWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-4(6(9)10)5-7(11)13-8(2,3)12-5/h4-5H,1-3H3,(H,9,10).
What are the key properties of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid?
2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid has a molecular weight of 188.18 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)propanoic acid is sourced from PubChem (CID 20679214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).