2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid

C6H8O5 — CID 54244511

IUPAC2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid
SMILESCC1OC(=O)OC1CC(=O)O
InChIInChI=1S/C6H8O5/c1-3-4(2-5(7)8)11-6(9)10-3/h3-4H,2H2,1H3,(H,7,8)
InChIKeyQSHNTFVMWXCYJR-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.38
Rot. Bonds2

About 2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid

2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid (PubChem CID 54244511) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid
PubChem CID54244511
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid
SMILESCC1OC(=O)OC1CC(=O)O
InChIInChI=1S/C6H8O5/c1-3-4(2-5(7)8)11-6(9)10-3/h3-4H,2H2,1H3,(H,7,8)
InChIKeyQSHNTFVMWXCYJR-UHFFFAOYSA-N
XLogP0.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid?
The IUPAC name of 2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid (CID 54244511) is 2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid is CC1OC(=O)OC1CC(=O)O.
What is the InChIKey of 2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid?
The InChIKey is QSHNTFVMWXCYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-3-4(2-5(7)8)11-6(9)10-3/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid?
2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid has a molecular weight of 160.12 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid is sourced from PubChem (CID 54244511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).