4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid

C11H20N2O2 — CID 63054817

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid
SMILESCNC(CCN1CC2CCC1C2)C(=O)O
InChIInChI=1S/C11H20N2O2/c1-12-10(11(14)15)4-5-13-7-8-2-3-9(13)6-8/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyQKMOMOUDZPLVIR-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.53
Rot. Bonds5

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid

4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid (PubChem CID 63054817) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid
PubChem CID63054817
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid
SMILESCNC(CCN1CC2CCC1C2)C(=O)O
InChIInChI=1S/C11H20N2O2/c1-12-10(11(14)15)4-5-13-7-8-2-3-9(13)6-8/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyQKMOMOUDZPLVIR-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid (CID 63054817) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid is CNC(CCN1CC2CCC1C2)C(=O)O.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid?
The InChIKey is QKMOMOUDZPLVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-10(11(14)15)4-5-13-7-8-2-3-9(13)6-8/h8-10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid has a molecular weight of 212.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid is sourced from PubChem (CID 63054817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).