(4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid

C8H12O7 — CID 57070047

IUPAC(4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESCCOC1O[C@H](C(=O)O)[C@@](C)(C(=O)O)O1
InChIInChI=1S/C8H12O7/c1-3-13-7-14-4(5(9)10)8(2,15-7)6(11)12/h4,7H,3H2,1-2H3,(H,9,10)(H,11,12)/t4-,7?,8+/m1/s1
InChIKeyIXNQEJJENQFWLX-BJSRZNKJSA-N
MW220.18 g/mol
LogP-0.35
Rot. Bonds4

About (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid

(4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid (PubChem CID 57070047) has the molecular formula C8H12O7 and a molecular weight of 220.18 g/mol. Its IUPAC name is (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name(4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid
PubChem CID57070047
Molecular FormulaC8H12O7
Molecular Weight220.18 g/mol
Exact Mass220.06
IUPAC Name(4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESCCOC1O[C@H](C(=O)O)[C@@](C)(C(=O)O)O1
InChIInChI=1S/C8H12O7/c1-3-13-7-14-4(5(9)10)8(2,15-7)6(11)12/h4,7H,3H2,1-2H3,(H,9,10)(H,11,12)/t4-,7?,8+/m1/s1
InChIKeyIXNQEJJENQFWLX-BJSRZNKJSA-N
XLogP-0.35
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 641720
2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 10844960
2,2,4,5-Tetramethyl-1,3-dioxolane-4-carboxylic acid
CID 14530204
Tetramethyl-1,3-dioxolane-4-carboxylic acid
CID 67255291
5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 604898
Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
CID 4053441
Methyl 3,4-O-isopropylidene-L-threonate
CID 10375250
2-[(2S,4S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
CID 10899674
Methyl (4r,5s)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11830206
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 6712407
2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 357864
2,2-Dimethyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 496155

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
The IUPAC name of (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid (CID 57070047) is (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid.
What is the SMILES notation for (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
The canonical SMILES for (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid is CCOC1O[C@H](C(=O)O)[C@@](C)(C(=O)O)O1.
What is the InChIKey of (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
The InChIKey is IXNQEJJENQFWLX-BJSRZNKJSA-N. The full InChI is InChI=1S/C8H12O7/c1-3-13-7-14-4(5(9)10)8(2,15-7)6(11)12/h4,7H,3H2,1-2H3,(H,9,10)(H,11,12)/t4-,7?,8+/m1/s1.
What are the key properties of (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
(4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid has a molecular weight of 220.18 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-ethoxy-4-methyl-1,3-dioxolane-4,5-dicarboxylic acid is sourced from PubChem (CID 57070047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).