(5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

C5H5NO3 — CID 59110742

IUPAC(5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESO=C1C[C@@H]2OC(=O)C2N1
InChIInChI=1S/C5H5NO3/c7-3-1-2-4(6-3)5(8)9-2/h2,4H,1H2,(H,6,7)/t2-,4?/m0/s1
InChIKeyRBLXHLSQRPDVQD-PTLFGRINSA-N
MW127.10 g/mol
LogP-1.20
Rot. Bonds

About (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

(5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (PubChem CID 59110742) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.

Molecular Properties

Compound Name(5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
PubChem CID59110742
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name(5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESO=C1C[C@@H]2OC(=O)C2N1
InChIInChI=1S/C5H5NO3/c7-3-1-2-4(6-3)5(8)9-2/h2,4H,1H2,(H,6,7)/t2-,4?/m0/s1
InChIKeyRBLXHLSQRPDVQD-PTLFGRINSA-N
XLogP-1.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

Analyze (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The IUPAC name of (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (CID 59110742) is (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.
What is the SMILES notation for (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The canonical SMILES for (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is O=C1C[C@@H]2OC(=O)C2N1.
What is the InChIKey of (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The InChIKey is RBLXHLSQRPDVQD-PTLFGRINSA-N. The full InChI is InChI=1S/C5H5NO3/c7-3-1-2-4(6-3)5(8)9-2/h2,4H,1H2,(H,6,7)/t2-,4?/m0/s1.
What are the key properties of (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
(5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione has a molecular weight of 127.10 g/mol, XLogP of -1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is sourced from PubChem (CID 59110742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).