2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride

C11H21ClN2O2 — CID 119329831

IUPAC2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
SMILESCC(N)C(=O)NC1C2CCOC2C1(C)C.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-6(12)10(14)13-8-7-4-5-15-9(7)11(8,2)3;/h6-9H,4-5,12H2,1-3H3,(H,13,14);1H
InChIKeyDMWBDSBOSRGJGO-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.69
Rot. Bonds2

About 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride

2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride (PubChem CID 119329831) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
PubChem CID119329831
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
SMILESCC(N)C(=O)NC1C2CCOC2C1(C)C.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-6(12)10(14)13-8-7-4-5-15-9(7)11(8,2)3;/h6-9H,4-5,12H2,1-3H3,(H,13,14);1H
InChIKeyDMWBDSBOSRGJGO-UHFFFAOYSA-N
XLogP0.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride (CID 119329831) is 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride is CC(N)C(=O)NC1C2CCOC2C1(C)C.Cl.
What is the InChIKey of 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride?
The InChIKey is DMWBDSBOSRGJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-6(12)10(14)13-8-7-4-5-15-9(7)11(8,2)3;/h6-9H,4-5,12H2,1-3H3,(H,13,14);1H.
What are the key properties of 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride?
2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride is sourced from PubChem (CID 119329831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).