5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

C11H20N2O2 — CID 77430922

IUPAC5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)(C)C12CC(N)C(CN1C(=O)O)C2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)11-4-7(8(12)5-11)6-13(11)9(14)15/h7-8H,4-6,12H2,1-3H3,(H,14,15)
InChIKeyVMNLEJOHDOXQSJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.50
Rot. Bonds

About 5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 77430922) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID77430922
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)(C)C12CC(N)C(CN1C(=O)O)C2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)11-4-7(8(12)5-11)6-13(11)9(14)15/h7-8H,4-6,12H2,1-3H3,(H,14,15)
InChIKeyVMNLEJOHDOXQSJ-UHFFFAOYSA-N
XLogP1.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 77430922) is 5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid is CC(C)(C)C12CC(N)C(CN1C(=O)O)C2.
What is the InChIKey of 5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is VMNLEJOHDOXQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,3)11-4-7(8(12)5-11)6-13(11)9(14)15/h7-8H,4-6,12H2,1-3H3,(H,14,15).
What are the key properties of 5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 77430922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).