2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid

C14H25NO2 — CID 79687344

IUPAC2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)N1CC2(CCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-3-11(2)12(13(16)17)15-9-14(10-15)7-5-4-6-8-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyCNEDNMDODJXFIS-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds4

About 2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid

2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid (PubChem CID 79687344) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid
PubChem CID79687344
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)N1CC2(CCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-3-11(2)12(13(16)17)15-9-14(10-15)7-5-4-6-8-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyCNEDNMDODJXFIS-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid?
The IUPAC name of 2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid (CID 79687344) is 2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid.
What is the SMILES notation for 2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid?
The canonical SMILES for 2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid is CCC(C)C(C(=O)O)N1CC2(CCCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid?
The InChIKey is CNEDNMDODJXFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-11(2)12(13(16)17)15-9-14(10-15)7-5-4-6-8-14/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid?
2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid is sourced from PubChem (CID 79687344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).