2-(8-azaspiro[4.5]decan-8-yl)propanoic acid

C12H21NO2 — CID 63158817

IUPAC2-(8-azaspiro[4.5]decan-8-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C12H21NO2/c1-10(11(14)15)13-8-6-12(7-9-13)4-2-3-5-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyPMUJHIHQNLEBAR-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.12
Rot. Bonds2

About 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid

2-(8-azaspiro[4.5]decan-8-yl)propanoic acid (PubChem CID 63158817) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)propanoic acid
PubChem CID63158817
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C12H21NO2/c1-10(11(14)15)13-8-6-12(7-9-13)4-2-3-5-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyPMUJHIHQNLEBAR-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid (CID 63158817) is 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid is CC(C(=O)O)N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid?
The InChIKey is PMUJHIHQNLEBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(11(14)15)13-8-6-12(7-9-13)4-2-3-5-12/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid?
2-(8-azaspiro[4.5]decan-8-yl)propanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)propanoic acid is sourced from PubChem (CID 63158817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).