(5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

C5H8N2O2 — CID 21309376

IUPAC(5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESN[C@@H]1C(=O)N2CCO[C@H]12
InChIInChI=1S/C5H8N2O2/c6-3-4(8)7-1-2-9-5(3)7/h3,5H,1-2,6H2/t3-,5-/m1/s1
InChIKeyWNNHZQIMQYRTRT-NQXXGFSBSA-N
MW128.13 g/mol
LogP-1.49
Rot. Bonds

About (5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

(5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 21309376) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID21309376
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESN[C@@H]1C(=O)N2CCO[C@H]12
InChIInChI=1S/C5H8N2O2/c6-3-4(8)7-1-2-9-5(3)7/h3,5H,1-2,6H2/t3-,5-/m1/s1
InChIKeyWNNHZQIMQYRTRT-NQXXGFSBSA-N
XLogP-1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (CID 21309376) is (5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is N[C@@H]1C(=O)N2CCO[C@H]12.
What is the InChIKey of (5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is WNNHZQIMQYRTRT-NQXXGFSBSA-N. The full InChI is InChI=1S/C5H8N2O2/c6-3-4(8)7-1-2-9-5(3)7/h3,5H,1-2,6H2/t3-,5-/m1/s1.
What are the key properties of (5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
(5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 128.13 g/mol, XLogP of -1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-amino-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 21309376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).