2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid

C10H14O5 — CID 131268700

IUPAC2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid
SMILESO=C(O)C[C@H]1OC2(CCCCC2)OC1=O
InChIInChI=1S/C10H14O5/c11-8(12)6-7-9(13)15-10(14-7)4-2-1-3-5-10/h7H,1-6H2,(H,11,12)/t7-/m1/s1
InChIKeyGZPFASHFOHXEAY-SSDOTTSWSA-N
MW214.22 g/mol
LogP1.06
Rot. Bonds2

About 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid

2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid (PubChem CID 131268700) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid
PubChem CID131268700
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid
SMILESO=C(O)C[C@H]1OC2(CCCCC2)OC1=O
InChIInChI=1S/C10H14O5/c11-8(12)6-7-9(13)15-10(14-7)4-2-1-3-5-10/h7H,1-6H2,(H,11,12)/t7-/m1/s1
InChIKeyGZPFASHFOHXEAY-SSDOTTSWSA-N
XLogP1.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic 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
5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 604898
2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 357864
1,4-Dioxaspiro[4.5]decane-2-acetic acid, 3-oxo-, (2S)-
CID 10262666
(4s,5s)-5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10976572
(4r,5r)-5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 13195892
(+)-2,3-Cyclohexylidene-L-erythruronic acid
CID 4441237
Dimethyl 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate
CID 245365
(4S,5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 92860639
2-(Carboxymethyl)-2,4-(r),5-(r)-tricarboxy-1,3-dioxolane
CID 101917912
(2R,3R)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic acid
CID 139088600

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid (CID 131268700) is 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid is O=C(O)C[C@H]1OC2(CCCCC2)OC1=O.
What is the InChIKey of 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid?
The InChIKey is GZPFASHFOHXEAY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14O5/c11-8(12)6-7-9(13)15-10(14-7)4-2-1-3-5-10/h7H,1-6H2,(H,11,12)/t7-/m1/s1.
What are the key properties of 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid?
2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid has a molecular weight of 214.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid is sourced from PubChem (CID 131268700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).