2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid

C10H16O6S — CID 117168862

IUPAC2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
SMILESCC1(C2CCCS2(=O)=O)OCC(CC(=O)O)O1
InChIInChI=1S/C10H16O6S/c1-10(8-3-2-4-17(8,13)14)15-6-7(16-10)5-9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyRFDAIPZYYLBVPO-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.17
Rot. Bonds3

About 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid

2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid (PubChem CID 117168862) has the molecular formula C10H16O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
PubChem CID117168862
Molecular FormulaC10H16O6S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
SMILESCC1(C2CCCS2(=O)=O)OCC(CC(=O)O)O1
InChIInChI=1S/C10H16O6S/c1-10(8-3-2-4-17(8,13)14)15-6-7(16-10)5-9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyRFDAIPZYYLBVPO-UHFFFAOYSA-N
XLogP0.17
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic 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

2,2-Dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole-4-carboxylic acid
CID 18446734
(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole-4-carboxylic acid
CID 69419490
2-[2-(1,1-Dioxothiolan-3-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168370
2-[2-(1,1-Dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117168372
Methyl 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]acetate
CID 117168373
2-[2-(1,1-Dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117168470
2-[2-[(1,1-Dioxothiolan-3-yl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117168566
Methyl 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-dioxolan-4-yl]acetate
CID 117168567
2-[2-[(1,1-Dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117168568
Methyl 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetate
CID 117168569
2-[2-Methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117168572
2-[2-[(1,1-Dioxothian-4-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117168666

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid (CID 117168862) is 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid is CC1(C2CCCS2(=O)=O)OCC(CC(=O)O)O1.
What is the InChIKey of 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is RFDAIPZYYLBVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6S/c1-10(8-3-2-4-17(8,13)14)15-6-7(16-10)5-9(11)12/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid?
2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 264.30 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dioxothiolan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 117168862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).