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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Related Compounds

(3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 96735288
methyl 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441158
4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide
CID 105365360
4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105366105
ethyl 3-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)propanoate
CID 105366095
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
ethyl 2-[4-(methylamino)-1-azabicyclo[3.2.1]octan-4-yl]acetate
CID 105366232
4-(3-fluoro-5-methylanilino)-1-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 105365521
spiro[1,3-thiazinane-2,4'-1-azabicyclo[3.2.1]octane]-4-carboxylic acid
CID 105365523
4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365876
3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 20568205
ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate
CID 105366099

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).