sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride

C12H16N5NaO6S — CID 173246282

About sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride

sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride (PubChem CID 173246282) has the molecular formula C12H16N5NaO6S and a molecular weight of 381.35 g/mol. Its IUPAC name is sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride.

Molecular Properties

• Compound Name: sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride
• PubChem CID: 173246282
• Molecular Formula: C12H16N5NaO6S
• Molecular Weight: 381.35 g/mol
• Exact Mass: 381.07
• IUPAC Name: sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride
• SMILES: O=C(NCc1nc(C2CC2)no1)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O.[H-].[Na+]
• InChI: InChI=1S/C12H15N5O6S.Na.H/c18-11-9-7(17(11)24(20,21)22)3-4-16(9)12(19)13-5-8-14-10(15-23-8)6-1-2-6;;/h6-7,9H,1-5H2,(H,13,19)(H,20,21,22);;/q;+1;-1/t7-,9+;;/m1../s1
• InChIKey: BWBTUMSUEZTDPC-ZQEGQHLZSA-N
• XLogP: -3.64
• TPSA: 145.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.35
LogP ≤ 5	-3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride?

The IUPAC name of sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride (CID 173246282) is sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride.

What is the SMILES notation for sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride?

The canonical SMILES for sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride is O=C(NCc1nc(C2CC2)no1)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O.[H-].[Na+].

What is the InChIKey of sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride?

The InChIKey is BWBTUMSUEZTDPC-ZQEGQHLZSA-N. The full InChI is InChI=1S/C12H15N5O6S.Na.H/c18-11-9-7(17(11)24(20,21)22)3-4-16(9)12(19)13-5-8-14-10(15-23-8)6-1-2-6;;/h6-7,9H,1-5H2,(H,13,19)(H,20,21,22);;/q;+1;-1/t7-,9+;;/m1../s1.

What are the key properties of sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride?

sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride has a molecular weight of 381.35 g/mol, XLogP of -3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride is sourced from PubChem (CID 173246282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).