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

C11H19NO2 — CID 70203947

IUPAC1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)(C)C12CCC(CN1C(=O)O)C2
InChIInChI=1S/C11H19NO2/c1-10(2,3)11-5-4-8(6-11)7-12(11)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyBAOUUWLDHOSZLX-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.57
Rot. Bonds

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

1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 70203947) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID70203947
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)(C)C12CCC(CN1C(=O)O)C2
InChIInChI=1S/C11H19NO2/c1-10(2,3)11-5-4-8(6-11)7-12(11)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyBAOUUWLDHOSZLX-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 70203947) is 1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid is CC(C)(C)C12CCC(CN1C(=O)O)C2.
What is the InChIKey of 1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is BAOUUWLDHOSZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2,3)11-5-4-8(6-11)7-12(11)9(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 70203947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).