3-(2-azaspiro[3.6]decan-2-yl)butanoic acid

C13H23NO2 — CID 79686841

IUPAC3-(2-azaspiro[3.6]decan-2-yl)butanoic acid
SMILESCC(CC(=O)O)N1CC2(CCCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-11(8-12(15)16)14-9-13(10-14)6-4-2-3-5-7-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyOCFHOEFTXQTCFU-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.51
Rot. Bonds3

About 3-(2-azaspiro[3.6]decan-2-yl)butanoic acid

3-(2-azaspiro[3.6]decan-2-yl)butanoic acid (PubChem CID 79686841) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-(2-azaspiro[3.6]decan-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-azaspiro[3.6]decan-2-yl)butanoic acid
PubChem CID79686841
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-(2-azaspiro[3.6]decan-2-yl)butanoic acid
SMILESCC(CC(=O)O)N1CC2(CCCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-11(8-12(15)16)14-9-13(10-14)6-4-2-3-5-7-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyOCFHOEFTXQTCFU-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-azaspiro[4.5]decan-8-yl)butanoic acid
CID 63158284
(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol
CID 104550126
2-(2-azaspiro[3.4]octan-2-yl)propan-1-ol
CID 104549199
3-(2-azaspiro[3.5]nonan-2-yl)-3-cyclopropylpropanoic acid
CID 82003395
2-(2-azaspiro[3.4]octan-2-yl)propanoic acid
CID 79686519
3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid
CID 102744531
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid
CID 61071116
2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid
CID 79687344
3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid
CID 103356700
3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
CID 79687147
2-(2-azaspiro[3.6]decan-2-yl)-3-methoxypropanoic acid
CID 81082086
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.6]decan-2-yl)butanoic acid?
The IUPAC name of 3-(2-azaspiro[3.6]decan-2-yl)butanoic acid (CID 79686841) is 3-(2-azaspiro[3.6]decan-2-yl)butanoic acid.
What is the SMILES notation for 3-(2-azaspiro[3.6]decan-2-yl)butanoic acid?
The canonical SMILES for 3-(2-azaspiro[3.6]decan-2-yl)butanoic acid is CC(CC(=O)O)N1CC2(CCCCCC2)C1.
What is the InChIKey of 3-(2-azaspiro[3.6]decan-2-yl)butanoic acid?
The InChIKey is OCFHOEFTXQTCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(8-12(15)16)14-9-13(10-14)6-4-2-3-5-7-13/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 3-(2-azaspiro[3.6]decan-2-yl)butanoic acid?
3-(2-azaspiro[3.6]decan-2-yl)butanoic acid has a molecular weight of 225.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.6]decan-2-yl)butanoic acid is sourced from PubChem (CID 79686841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).