2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid

C7H12O5S — CID 130632540

IUPAC2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid
SMILESCC1C(C(O)C(=O)O)CCS1(=O)=O
InChIInChI=1S/C7H12O5S/c1-4-5(6(8)7(9)10)2-3-13(4,11)12/h4-6,8H,2-3H2,1H3,(H,9,10)
InChIKeyFFODJHNQZYJNPX-UHFFFAOYSA-N
MW208.23 g/mol
LogP-0.74
Rot. Bonds2

About 2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid

2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid (PubChem CID 130632540) has the molecular formula C7H12O5S and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid
PubChem CID130632540
Molecular FormulaC7H12O5S
Molecular Weight208.23 g/mol
Exact Mass208.04
IUPAC Name2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid
SMILESCC1C(C(O)C(=O)O)CCS1(=O)=O
InChIInChI=1S/C7H12O5S/c1-4-5(6(8)7(9)10)2-3-13(4,11)12/h4-6,8H,2-3H2,1H3,(H,9,10)
InChIKeyFFODJHNQZYJNPX-UHFFFAOYSA-N
XLogP-0.74
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
CID 130699488
N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
CID 130624611
2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid
CID 82402699
(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
CID 167913931
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 130676489
(2S)-2-cyclobutyl-2-hydroxyacetic acid
CID 118175739
2-amino-2-hydroxyacetic acid;methylcyclopropane
CID 67301072
2-(2,2-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 79852423
2-hydroxy-2-(4-methylcycloheptyl)acetic acid
CID 66289030
2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 66287773
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid (CID 130632540) is 2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid is CC1C(C(O)C(=O)O)CCS1(=O)=O.
What is the InChIKey of 2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid?
The InChIKey is FFODJHNQZYJNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5S/c1-4-5(6(8)7(9)10)2-3-13(4,11)12/h4-6,8H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid?
2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid has a molecular weight of 208.23 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid is sourced from PubChem (CID 130632540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).