2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid

C13H23NO3 — CID 103224740

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C13H23NO3/c1-17-10-11(12(15)16)14-8-6-13(7-9-14)4-2-3-5-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyZIWAMTPQCDKDKM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds4

About 2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid

2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid (PubChem CID 103224740) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid
PubChem CID103224740
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C13H23NO3/c1-17-10-11(12(15)16)14-8-6-13(7-9-14)4-2-3-5-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyZIWAMTPQCDKDKM-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-Azaspiro[4.5]decan-8-yl)butanoic acid
CID 63158372
Ethyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate
CID 63158460
Methyl 2-(8-azaspiro[4.5]decan-8-yl)propanoate
CID 63158505
2-(8-Azaspiro[4.5]decan-8-yl)propanoic acid
CID 63158817
Ethyl 2-(8-azaspiro[4.5]decan-8-yl)butanoate
CID 64661881
4-(4-Methylcycloheptyl)morpholine-3-carboxylic acid
CID 65546075
4-(Cyclopentylmethyl)morpholine-3-carboxylic acid
CID 65546418
4-(2-Ethylcyclohexyl)morpholine-3-carboxylic acid
CID 65546422
4-(2-Methylpentyl)morpholine-3-carboxylic acid
CID 65546461
4-(2-Tert-butylcyclohexyl)morpholine-3-carboxylic acid
CID 65546480
4-(5-Methylhexan-2-yl)morpholine-3-carboxylic acid
CID 65546482
4-(3-Methylcyclopentyl)morpholine-3-carboxylic acid
CID 65546488

Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid (CID 103224740) is 2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid is COCC(C(=O)O)N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid?
The InChIKey is ZIWAMTPQCDKDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-17-10-11(12(15)16)14-8-6-13(7-9-14)4-2-3-5-13/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid?
2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid is sourced from PubChem (CID 103224740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).