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

C10H15N3O4 — CID 67591932

IUPAC2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C10H15N3O4/c1-6(14)11-4-8(15)12-3-7-5-13-9(16)2-10(13)17-7/h7,10H,2-5H2,1H3,(H,11,14)(H,12,15)
InChIKeyWXRRNLCROCMOSW-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.80
Rot. Bonds4

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

2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide (PubChem CID 67591932) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
PubChem CID67591932
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C10H15N3O4/c1-6(14)11-4-8(15)12-3-7-5-13-9(16)2-10(13)17-7/h7,10H,2-5H2,1H3,(H,11,14)(H,12,15)
InChIKeyWXRRNLCROCMOSW-UHFFFAOYSA-N
XLogP-1.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
The IUPAC name of 2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide (CID 67591932) is 2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide is CC(=O)NCC(=O)NCC1CN2C(=O)CC2O1.
What is the InChIKey of 2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
The InChIKey is WXRRNLCROCMOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(14)11-4-8(15)12-3-7-5-13-9(16)2-10(13)17-7/h7,10H,2-5H2,1H3,(H,11,14)(H,12,15).
What are the key properties of 2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide has a molecular weight of 241.25 g/mol, XLogP of -1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide is sourced from PubChem (CID 67591932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).