2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid

C5H8O5 — CID 22097445

IUPAC2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid
SMILESO=C(O)C1COC(CO)O1
InChIInChI=1S/C5H8O5/c6-1-4-9-2-3(10-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChIKeyQTUWYITVQZYCQT-UHFFFAOYSA-N
MW148.11 g/mol
LogP-1.20
Rot. Bonds2

About 2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid

2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid (PubChem CID 22097445) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid
PubChem CID22097445
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid
SMILESO=C(O)C1COC(CO)O1
InChIInChI=1S/C5H8O5/c6-1-4-9-2-3(10-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChIKeyQTUWYITVQZYCQT-UHFFFAOYSA-N
XLogP-1.20
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
2,2,5-Trimethyl-1,3-dioxolane-4-carboxylic acid
CID 315257
2-t-Butyl-5-hydroxymethyl-5-methyl-[1,3]dioxolan-4-one
CID 554337
1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-oxo-
CID 10219575
(4R)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10855606
(S)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
CID 11126405
1,3-Dioxolane-2,2-dicarboxylic acid
CID 18314547
Glyzerin Pyruvat
CID 22406361
Glycerol oxalate
CID 129823575
3-Fluoropropyl 2-hydroxy-1,3-dioxolane-4-carboxylate
CID 134606592
[3-Fluoropropoxy-(2-oxo-1,3-dioxolan-4-yl)methylidene]oxidanium
CID 147129069
2-(Trifluoromethyl)-1,3-dioxolane-4-carboxylic acid
CID 175574226

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid (CID 22097445) is 2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid is O=C(O)C1COC(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid?
The InChIKey is QTUWYITVQZYCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5/c6-1-4-9-2-3(10-4)5(7)8/h3-4,6H,1-2H2,(H,7,8).
What are the key properties of 2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid?
2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid has a molecular weight of 148.11 g/mol, XLogP of -1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 22097445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).