(2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid

C9H12O6 — CID 139088600

IUPAC(2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1OC2(CCCC2)O[C@H]1C(=O)O
InChIInChI=1S/C9H12O6/c10-7(11)5-6(8(12)13)15-9(14-5)3-1-2-4-9/h5-6H,1-4H2,(H,10,11)(H,12,13)/t5-,6-/m1/s1
InChIKeyVKTFAYAPMGKPFT-PHDIDXHHSA-N
MW216.19 g/mol
LogP0.21
Rot. Bonds2

About (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid

(2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid (PubChem CID 139088600) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid
PubChem CID139088600
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name(2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1OC2(CCCC2)O[C@H]1C(=O)O
InChIInChI=1S/C9H12O6/c10-7(11)5-6(8(12)13)15-9(14-5)3-1-2-4-9/h5-6H,1-4H2,(H,10,11)(H,12,13)/t5-,6-/m1/s1
InChIKeyVKTFAYAPMGKPFT-PHDIDXHHSA-N
XLogP0.21
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-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
Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate
CID 245393
Dimethyl 1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylate
CID 249518
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
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
Dicyclopentyl (r,r)-tartrate
CID 11087381

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid?
The IUPAC name of (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid (CID 139088600) is (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid.
What is the SMILES notation for (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid?
The canonical SMILES for (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid is O=C(O)[C@@H]1OC2(CCCC2)O[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid?
The InChIKey is VKTFAYAPMGKPFT-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H12O6/c10-7(11)5-6(8(12)13)15-9(14-5)3-1-2-4-9/h5-6H,1-4H2,(H,10,11)(H,12,13)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid?
(2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid has a molecular weight of 216.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid is sourced from PubChem (CID 139088600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).