2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid

C11H18O3 — CID 84668340

IUPAC2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid
SMILESO=C(O)C1(CO)CC12CCCCCC2
InChIInChI=1S/C11H18O3/c12-8-11(9(13)14)7-10(11)5-3-1-2-4-6-10/h12H,1-8H2,(H,13,14)
InChIKeyJDASAMKBILDUPP-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.79
Rot. Bonds2

About 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid

2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid (PubChem CID 84668340) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid
PubChem CID84668340
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid
SMILESO=C(O)C1(CO)CC12CCCCCC2
InChIInChI=1S/C11H18O3/c12-8-11(9(13)14)7-10(11)5-3-1-2-4-6-10/h12H,1-8H2,(H,13,14)
InChIKeyJDASAMKBILDUPP-UHFFFAOYSA-N
XLogP1.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic 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

2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid
CID 84668949
2-(aminomethyl)-6-thiaspiro[2.5]octane-2-carboxylic acid
CID 84670228
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
cyclohexane-1,1-dicarboxylic acid
CID 70539849
cyclooctane-1,1-dicarboxylic acid
CID 18521139
cyclotritriacontane-1,1,12,12,23,23-hexacarboxylic acid
CID 132573281
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid
CID 67879235
2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid
CID 10012945
[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
CID 175865144
hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022
cyclohexane-1,1-dicarboxylic acid;hexanedioic acid
CID 161480417

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid (CID 84668340) is 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid is O=C(O)C1(CO)CC12CCCCCC2.
What is the InChIKey of 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid?
The InChIKey is JDASAMKBILDUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-8-11(9(13)14)7-10(11)5-3-1-2-4-6-10/h12H,1-8H2,(H,13,14).
What are the key properties of 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid?
2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)spiro[2.6]nonane-2-carboxylic acid is sourced from PubChem (CID 84668340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).