3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid

C14H26N2O2 — CID 61230803

IUPAC3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid
SMILESCCCN(CC(C)C(=O)O)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O2/c1-3-6-16(9-10(2)14(17)18)13-7-11-4-5-12(8-13)15-11/h10-13,15H,3-9H2,1-2H3,(H,17,18)
InChIKeyLMZPTODFHHYZCG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.70
Rot. Bonds6

About 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid

3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid (PubChem CID 61230803) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid
PubChem CID61230803
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid
SMILESCCCN(CC(C)C(=O)O)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O2/c1-3-6-16(9-10(2)14(17)18)13-7-11-4-5-12(8-13)15-11/h10-13,15H,3-9H2,1-2H3,(H,17,18)
InChIKeyLMZPTODFHHYZCG-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid (CID 61230803) is 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid is CCCN(CC(C)C(=O)O)C1CC2CCC(C1)N2.
What is the InChIKey of 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid?
The InChIKey is LMZPTODFHHYZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-6-16(9-10(2)14(17)18)13-7-11-4-5-12(8-13)15-11/h10-13,15H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid?
3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61230803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).