4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid

C15H28N2O2 — CID 63159226

IUPAC4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid
SMILESCNC(C)(CCN1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C15H28N2O2/c1-14(16-2,13(18)19)7-10-17-11-8-15(9-12-17)5-3-4-6-15/h16H,3-12H2,1-2H3,(H,18,19)
InChIKeyHLQPDWFGVJPHLY-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.10
Rot. Bonds5

About 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid

4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid (PubChem CID 63159226) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid
PubChem CID63159226
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid
SMILESCNC(C)(CCN1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C15H28N2O2/c1-14(16-2,13(18)19)7-10-17-11-8-15(9-12-17)5-3-4-6-15/h16H,3-12H2,1-2H3,(H,18,19)
InChIKeyHLQPDWFGVJPHLY-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid with MolForge

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Related Compounds

3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)propanoic acid
CID 63159460
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
CID 65281759
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 63159759
4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 55155364
3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 63159802
4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile
CID 62930945
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63158993
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 63159082
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butanoic acid
CID 65282090
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956

Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid?
The IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid (CID 63159226) is 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid is CNC(C)(CCN1CCC2(CCCC2)CC1)C(=O)O.
What is the InChIKey of 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid?
The InChIKey is HLQPDWFGVJPHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(16-2,13(18)19)7-10-17-11-8-15(9-12-17)5-3-4-6-15/h16H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid?
4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid has a molecular weight of 268.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid is sourced from PubChem (CID 63159226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).