2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid

C7H8O7 — CID 8945

IUPAC2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESO=C(O)CC1(CC(=O)O)OCOC1=O
InChIInChI=1S/C7H8O7/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7/h1-3H2,(H,8,9)(H,10,11)
InChIKeyPXPMCAKTYKAROX-UHFFFAOYSA-N
MW204.13 g/mol
LogP-0.79
Rot. Bonds4

About 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid

2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid (PubChem CID 8945) has the molecular formula C7H8O7 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
PubChem CID8945
Molecular FormulaC7H8O7
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESO=C(O)CC1(CC(=O)O)OCOC1=O
InChIInChI=1S/C7H8O7/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7/h1-3H2,(H,8,9)(H,10,11)
InChIKeyPXPMCAKTYKAROX-UHFFFAOYSA-N
XLogP-0.79
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid (CID 8945) is 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid is O=C(O)CC1(CC(=O)O)OCOC1=O.
What is the InChIKey of 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is PXPMCAKTYKAROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O7/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7/h1-3H2,(H,8,9)(H,10,11).
What are the key properties of 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 204.13 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 8945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).