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

C16H28N2O2 — CID 63159802

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid
SMILESCC(CN1CCC2(CCCC2)CC1)(NC1CC1)C(=O)O
InChIInChI=1S/C16H28N2O2/c1-15(14(19)20,17-13-4-5-13)12-18-10-8-16(9-11-18)6-2-3-7-16/h13,17H,2-12H2,1H3,(H,19,20)
InChIKeyJLVPUIRCESZZFP-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.24
Rot. Bonds5

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

3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid (PubChem CID 63159802) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid
PubChem CID63159802
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid
SMILESCC(CN1CCC2(CCCC2)CC1)(NC1CC1)C(=O)O
InChIInChI=1S/C16H28N2O2/c1-15(14(19)20,17-13-4-5-13)12-18-10-8-16(9-11-18)6-2-3-7-16/h13,17H,2-12H2,1H3,(H,19,20)
InChIKeyJLVPUIRCESZZFP-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)propanoic acid
CID 63159460
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 63159759
4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63159226
2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid
CID 104968620
ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate
CID 62930268
2-(cyclopropylamino)-3-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropanoic acid
CID 114218703
4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one
CID 66452950
methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate
CID 55157662
methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate
CID 79620588
3-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethylpropanehydrazide
CID 79628363
ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 63159620
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300

Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid (CID 63159802) is 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid is CC(CN1CCC2(CCCC2)CC1)(NC1CC1)C(=O)O.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid?
The InChIKey is JLVPUIRCESZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15(14(19)20,17-13-4-5-13)12-18-10-8-16(9-11-18)6-2-3-7-16/h13,17H,2-12H2,1H3,(H,19,20).
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid?
3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid has a molecular weight of 280.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid is sourced from PubChem (CID 63159802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).