4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid

C8H14N2O2 — CID 105434470

IUPAC4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid
SMILESNC1(C(=O)O)CCN2CCC1C2
InChIInChI=1S/C8H14N2O2/c9-8(7(11)12)2-4-10-3-1-6(8)5-10/h6H,1-5,9H2,(H,11,12)
InChIKeyGUIXZUKRBWMSTQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.51
Rot. Bonds1

About 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid

4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid (PubChem CID 105434470) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid
PubChem CID105434470
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid
SMILESNC1(C(=O)O)CCN2CCC1C2
InChIInChI=1S/C8H14N2O2/c9-8(7(11)12)2-4-10-3-1-6(8)5-10/h6H,1-5,9H2,(H,11,12)
InChIKeyGUIXZUKRBWMSTQ-UHFFFAOYSA-N
XLogP-0.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid?
The IUPAC name of 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid (CID 105434470) is 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid?
The canonical SMILES for 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid is NC1(C(=O)O)CCN2CCC1C2.
What is the InChIKey of 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid?
The InChIKey is GUIXZUKRBWMSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-8(7(11)12)2-4-10-3-1-6(8)5-10/h6H,1-5,9H2,(H,11,12).
What are the key properties of 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid?
4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid is sourced from PubChem (CID 105434470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).