4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid

C12H21NO2 — CID 79694547

IUPAC4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)N1CC2(CCC2)C1
InChIInChI=1S/C12H21NO2/c1-11(2,7-4-10(14)15)13-8-12(9-13)5-3-6-12/h3-9H2,1-2H3,(H,14,15)
InChIKeyZLSUYHKZBMDLPY-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.12
Rot. Bonds4

About 4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid

4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid (PubChem CID 79694547) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid
PubChem CID79694547
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)N1CC2(CCC2)C1
InChIInChI=1S/C12H21NO2/c1-11(2,7-4-10(14)15)13-8-12(9-13)5-3-6-12/h3-9H2,1-2H3,(H,14,15)
InChIKeyZLSUYHKZBMDLPY-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid?
The IUPAC name of 4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid (CID 79694547) is 4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid.
What is the SMILES notation for 4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid?
The canonical SMILES for 4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid is CC(C)(CCC(=O)O)N1CC2(CCC2)C1.
What is the InChIKey of 4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid?
The InChIKey is ZLSUYHKZBMDLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2,7-4-10(14)15)13-8-12(9-13)5-3-6-12/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid?
4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid is sourced from PubChem (CID 79694547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).