2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C12H22N2O2 — CID 79606219

IUPAC2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESNCCCN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C12H22N2O2/c13-4-1-5-14-10-2-3-11(14)7-9(6-10)8-12(15)16/h9-11H,1-8,13H2,(H,15,16)
InChIKeyIFQROBQNZMDQNV-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.05
Rot. Bonds5

About 2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79606219) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79606219
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESNCCCN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C12H22N2O2/c13-4-1-5-14-10-2-3-11(14)7-9(6-10)8-12(15)16/h9-11H,1-8,13H2,(H,15,16)
InChIKeyIFQROBQNZMDQNV-UHFFFAOYSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79606219) is 2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is NCCCN1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is IFQROBQNZMDQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-4-1-5-14-10-2-3-11(14)7-9(6-10)8-12(15)16/h9-11H,1-8,13H2,(H,15,16).
What are the key properties of 2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79606219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).