3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid

C16H30N2O2 — CID 63159759

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(C)(CN1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C16H30N2O2/c1-13(2)17-15(3,14(19)20)12-18-10-8-16(9-11-18)6-4-5-7-16/h13,17H,4-12H2,1-3H3,(H,19,20)
InChIKeyOSVFKMVPAZYWAZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.48
Rot. Bonds5

About 3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid

3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid (PubChem CID 63159759) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
PubChem CID63159759
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(C)(CN1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C16H30N2O2/c1-13(2)17-15(3,14(19)20)12-18-10-8-16(9-11-18)6-4-5-7-16/h13,17H,4-12H2,1-3H3,(H,19,20)
InChIKeyOSVFKMVPAZYWAZ-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid (CID 63159759) is 3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid is CC(C)NC(C)(CN1CCC2(CCCC2)CC1)C(=O)O.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid?
The InChIKey is OSVFKMVPAZYWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)17-15(3,14(19)20)12-18-10-8-16(9-11-18)6-4-5-7-16/h13,17H,4-12H2,1-3H3,(H,19,20).
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid?
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.48, 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-methyl-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 63159759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).