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

C11H21N3O — CID 63054642

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide
SMILESCNC(CCN1CC2CCC1C2)C(N)=O
InChIInChI=1S/C11H21N3O/c1-13-10(11(12)15)4-5-14-7-8-2-3-9(14)6-8/h8-10,13H,2-7H2,1H3,(H2,12,15)
InChIKeyVOEUYTFRAFMYKD-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.07
Rot. Bonds5

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

4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide (PubChem CID 63054642) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide
PubChem CID63054642
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide
SMILESCNC(CCN1CC2CCC1C2)C(N)=O
InChIInChI=1S/C11H21N3O/c1-13-10(11(12)15)4-5-14-7-8-2-3-9(14)6-8/h8-10,13H,2-7H2,1H3,(H2,12,15)
InChIKeyVOEUYTFRAFMYKD-UHFFFAOYSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.07
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)butanamide?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide (CID 63054642) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide is CNC(CCN1CC2CCC1C2)C(N)=O.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide?
The InChIKey is VOEUYTFRAFMYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13-10(11(12)15)4-5-14-7-8-2-3-9(14)6-8/h8-10,13H,2-7H2,1H3,(H2,12,15).
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide has a molecular weight of 211.31 g/mol, XLogP of -0.07, 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)butanamide is sourced from PubChem (CID 63054642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).