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

C7H10O6 — CID 21499978

IUPAC2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid
SMILESO=C(O)CC1(CC(=O)O)COCO1
InChIInChI=1S/C7H10O6/c8-5(9)1-7(2-6(10)11)3-12-4-13-7/h1-4H2,(H,8,9)(H,10,11)
InChIKeyHRNXGZNLWXVYGL-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.32
Rot. Bonds4

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

2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid (PubChem CID 21499978) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid
PubChem CID21499978
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid
SMILESO=C(O)CC1(CC(=O)O)COCO1
InChIInChI=1S/C7H10O6/c8-5(9)1-7(2-6(10)11)3-12-4-13-7/h1-4H2,(H,8,9)(H,10,11)
InChIKeyHRNXGZNLWXVYGL-UHFFFAOYSA-N
XLogP-0.32
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Y-lactone 2
CID 21674240
Lyngbyacarbonate
CID 10263319
2-(3-Hydroxyoxolan-3-yl)acetic acid
CID 63333232
2-[(3S)-3-hydroxy-5-oxooxolan-3-yl]acetic acid
CID 133639597
2-(3-Hydroxy-5-oxotetrahydrofuran-3-yl) acetic acid
CID 71468112
5-Oxo-1,3-dioxolane-4,4-diacetic acid
CID 8945
Methyl 2-(3-hydroxy-5-oxooxolan-3-yl)acetate
CID 169491624
CID 170842896
CID 170842896
2-[4-(2-Methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
CID 10878606
2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
CID 10878607
1,3-Dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 67725899
3-Hydroxy-3-(hydroxymethoxymethyl)pentanedioic acid
CID 88369453

Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid (CID 21499978) is 2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid is O=C(O)CC1(CC(=O)O)COCO1.
What is the InChIKey of 2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is HRNXGZNLWXVYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c8-5(9)1-7(2-6(10)11)3-12-4-13-7/h1-4H2,(H,8,9)(H,10,11).
What are the key properties of 2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid?
2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 190.15 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 21499978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).