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

C12H21NO2 — CID 119138157

IUPAC3-(2-azaspiro[4.5]decan-2-yl)propanoic acid
SMILESO=C(O)CCN1CCC2(CCCCC2)C1
InChIInChI=1S/C12H21NO2/c14-11(15)4-8-13-9-7-12(10-13)5-2-1-3-6-12/h1-10H2,(H,14,15)
InChIKeyAKQOVDBCXGGHED-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.12
Rot. Bonds3

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

3-(2-azaspiro[4.5]decan-2-yl)propanoic acid (PubChem CID 119138157) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(2-azaspiro[4.5]decan-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-azaspiro[4.5]decan-2-yl)propanoic acid
PubChem CID119138157
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(2-azaspiro[4.5]decan-2-yl)propanoic acid
SMILESO=C(O)CCN1CCC2(CCCCC2)C1
InChIInChI=1S/C12H21NO2/c14-11(15)4-8-13-9-7-12(10-13)5-2-1-3-6-12/h1-10H2,(H,14,15)
InChIKeyAKQOVDBCXGGHED-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

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CID 126990330
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4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919
2-(2-azaspiro[4.4]nonan-2-ylmethyl)prop-2-enoic acid
CID 130516454
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
3-(4,4-difluoroazepan-1-yl)propanoic acid
CID 115025049
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
CID 62936033
3-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)propanamide
CID 131000731
3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid
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3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
5-(5-azaspiro[2.3]hexan-5-yl)pentanoic acid
CID 79695089

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[4.5]decan-2-yl)propanoic acid?
The IUPAC name of 3-(2-azaspiro[4.5]decan-2-yl)propanoic acid (CID 119138157) is 3-(2-azaspiro[4.5]decan-2-yl)propanoic acid.
What is the SMILES notation for 3-(2-azaspiro[4.5]decan-2-yl)propanoic acid?
The canonical SMILES for 3-(2-azaspiro[4.5]decan-2-yl)propanoic acid is O=C(O)CCN1CCC2(CCCCC2)C1.
What is the InChIKey of 3-(2-azaspiro[4.5]decan-2-yl)propanoic acid?
The InChIKey is AKQOVDBCXGGHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11(15)4-8-13-9-7-12(10-13)5-2-1-3-6-12/h1-10H2,(H,14,15).
What are the key properties of 3-(2-azaspiro[4.5]decan-2-yl)propanoic acid?
3-(2-azaspiro[4.5]decan-2-yl)propanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[4.5]decan-2-yl)propanoic acid is sourced from PubChem (CID 119138157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).