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

C8H10O7 — CID 10878607

IUPAC2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCOC(=O)C[C@@]1(CC(=O)O)OCOC1=O
InChIInChI=1S/C8H10O7/c1-13-6(11)3-8(2-5(9)10)7(12)14-4-15-8/h2-4H2,1H3,(H,9,10)/t8-/m1/s1
InChIKeyLDPXQIFJGYIBKV-MRVPVSSYSA-N
MW218.16 g/mol
LogP-0.71
Rot. Bonds4

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

2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid (PubChem CID 10878607) has the molecular formula C8H10O7 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
PubChem CID10878607
Molecular FormulaC8H10O7
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Name2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCOC(=O)C[C@@]1(CC(=O)O)OCOC1=O
InChIInChI=1S/C8H10O7/c1-13-6(11)3-8(2-5(9)10)7(12)14-4-15-8/h2-4H2,1H3,(H,9,10)/t8-/m1/s1
InChIKeyLDPXQIFJGYIBKV-MRVPVSSYSA-N
XLogP-0.71
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid (CID 10878607) is 2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid is COC(=O)C[C@@]1(CC(=O)O)OCOC1=O.
What is the InChIKey of 2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is LDPXQIFJGYIBKV-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10O7/c1-13-6(11)3-8(2-5(9)10)7(12)14-4-15-8/h2-4H2,1H3,(H,9,10)/t8-/m1/s1.
What are the key properties of 2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid?
2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 218.16 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 10878607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).