2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide

C10H16N2O3 — CID 19602502

IUPAC2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C10H16N2O3/c1-6(2)10(14)11-4-7-5-12-8(13)3-9(12)15-7/h6-7,9H,3-5H2,1-2H3,(H,11,14)
InChIKeyGFFLJLKICLFABV-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.28
Rot. Bonds3

About 2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide

2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide (PubChem CID 19602502) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
PubChem CID19602502
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C10H16N2O3/c1-6(2)10(14)11-4-7-5-12-8(13)3-9(12)15-7/h6-7,9H,3-5H2,1-2H3,(H,11,14)
InChIKeyGFFLJLKICLFABV-UHFFFAOYSA-N
XLogP-0.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide (CID 19602502) is 2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide is CC(C)C(=O)NCC1CN2C(=O)CC2O1.
What is the InChIKey of 2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide?
The InChIKey is GFFLJLKICLFABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6(2)10(14)11-4-7-5-12-8(13)3-9(12)15-7/h6-7,9H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide?
2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide is sourced from PubChem (CID 19602502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).