N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide

C8H12N2O3 — CID 15871729

IUPACN-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN2C(=O)C[C@@H]2O1
InChIInChI=1S/C8H12N2O3/c1-5(11)9-3-6-4-10-7(12)2-8(10)13-6/h6,8H,2-4H2,1H3,(H,9,11)/t6-,8-/m0/s1
InChIKeyXMACGJOIWZACGT-XPUUQOCRSA-N
MW184.19 g/mol
LogP-0.92
Rot. Bonds2

About N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide

N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide (PubChem CID 15871729) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide
PubChem CID15871729
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN2C(=O)C[C@@H]2O1
InChIInChI=1S/C8H12N2O3/c1-5(11)9-3-6-4-10-7(12)2-8(10)13-6/h6,8H,2-4H2,1H3,(H,9,11)/t6-,8-/m0/s1
InChIKeyXMACGJOIWZACGT-XPUUQOCRSA-N
XLogP-0.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide (CID 15871729) is N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide is CC(=O)NC[C@H]1CN2C(=O)C[C@@H]2O1.
What is the InChIKey of N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide?
The InChIKey is XMACGJOIWZACGT-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(11)9-3-6-4-10-7(12)2-8(10)13-6/h6,8H,2-4H2,1H3,(H,9,11)/t6-,8-/m0/s1.
What are the key properties of N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide?
N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide has a molecular weight of 184.19 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]methyl]acetamide is sourced from PubChem (CID 15871729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).