2-spiro[3.3]heptan-2-ylacetic acid

C9H14O2 — CID 138040859

IUPAC2-spiro[3.3]heptan-2-ylacetic acid
SMILESO=C(O)CC1CC2(CCC2)C1
InChIInChI=1S/C9H14O2/c10-8(11)4-7-5-9(6-7)2-1-3-9/h7H,1-6H2,(H,10,11)
InChIKeyWLWZYGGDLMOIPM-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.04
Rot. Bonds2

About 2-spiro[3.3]heptan-2-ylacetic acid

2-spiro[3.3]heptan-2-ylacetic acid (PubChem CID 138040859) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-spiro[3.3]heptan-2-ylacetic acid.

Molecular Properties

Compound Name2-spiro[3.3]heptan-2-ylacetic acid
PubChem CID138040859
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-spiro[3.3]heptan-2-ylacetic acid
SMILESO=C(O)CC1CC2(CCC2)C1
InChIInChI=1S/C9H14O2/c10-8(11)4-7-5-9(6-7)2-1-3-9/h7H,1-6H2,(H,10,11)
InChIKeyWLWZYGGDLMOIPM-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-spiro[3.3]heptan-2-ylacetic 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

Pinic acid
CID 10131
1,4-Cubanedicarboxylic acid
CID 276350
Spiro[3.3]heptane-2,6-dicarboxylic acid
CID 240836
4-Methoxycarbonylcubanecarboxylic acid
CID 369179
8-Iodocubane-1-carboxylic acid
CID 369186
Cubane-1-carboxylic acid
CID 10997192
3-Butylbicyclo[1.1.1]pentane-1-carboxylic acid
CID 85617736
Cyclobutanecarboxylic acid, 3-propyl-
CID 47797
Cyclobutanecarboxylic acid, 3-butyl-
CID 47798
Cyclobutanecarboxylic acid, 3-pentyl-
CID 47799
Bicyclo[2.2.0]hexane-1-carboxylic acid
CID 12706147
Spiro[3.3]heptane-2-carboxylic acid
CID 20320775

Frequently Asked Questions

What is the IUPAC name of 2-spiro[3.3]heptan-2-ylacetic acid?
The IUPAC name of 2-spiro[3.3]heptan-2-ylacetic acid (CID 138040859) is 2-spiro[3.3]heptan-2-ylacetic acid.
What is the SMILES notation for 2-spiro[3.3]heptan-2-ylacetic acid?
The canonical SMILES for 2-spiro[3.3]heptan-2-ylacetic acid is O=C(O)CC1CC2(CCC2)C1.
What is the InChIKey of 2-spiro[3.3]heptan-2-ylacetic acid?
The InChIKey is WLWZYGGDLMOIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-8(11)4-7-5-9(6-7)2-1-3-9/h7H,1-6H2,(H,10,11).
What are the key properties of 2-spiro[3.3]heptan-2-ylacetic acid?
2-spiro[3.3]heptan-2-ylacetic acid has a molecular weight of 154.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[3.3]heptan-2-ylacetic acid is sourced from PubChem (CID 138040859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).