2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide

C11H20N2O2 — CID 80716096

IUPAC2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
SMILESCC(C)C(N)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H20N2O2/c1-6(2)10(12)11(14)13-8-5-7-3-4-9(8)15-7/h6-10H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyURHFMIIWXFIWEX-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide

2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide (PubChem CID 80716096) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
PubChem CID80716096
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
SMILESCC(C)C(N)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H20N2O2/c1-6(2)10(12)11(14)13-8-5-7-3-4-9(8)15-7/h6-10H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyURHFMIIWXFIWEX-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide (CID 80716096) is 2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide is CC(C)C(N)C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide?
The InChIKey is URHFMIIWXFIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6(2)10(12)11(14)13-8-5-7-3-4-9(8)15-7/h6-10H,3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide?
2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide has a molecular weight of 212.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide is sourced from PubChem (CID 80716096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).