3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid

C14H26N2O2 — CID 65060810

IUPAC3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid
SMILESCCN(C(C)CC(=O)O)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H26N2O2/c1-4-16(10(2)7-14(17)18)13-8-11-5-6-12(9-13)15(11)3/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyIUAIIHSNJSIPFX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds5

About 3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid

3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid (PubChem CID 65060810) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid
PubChem CID65060810
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid
SMILESCCN(C(C)CC(=O)O)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H26N2O2/c1-4-16(10(2)7-14(17)18)13-8-11-5-6-12(9-13)15(11)3/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyIUAIIHSNJSIPFX-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid (CID 65060810) is 3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid is CCN(C(C)CC(=O)O)C1CC2CCC(C1)N2C.
What is the InChIKey of 3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid?
The InChIKey is IUAIIHSNJSIPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-16(10(2)7-14(17)18)13-8-11-5-6-12(9-13)15(11)3/h10-13H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid?
3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]butanoic acid is sourced from PubChem (CID 65060810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).