disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride

C15H18N2Na2O6S2 — CID 173446636

About disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride

disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride (PubChem CID 173446636) has the molecular formula C15H18N2Na2O6S2 and a molecular weight of 432.43 g/mol. Its IUPAC name is disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride.

Molecular Properties

• Compound Name: disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride
• PubChem CID: 173446636
• Molecular Formula: C15H18N2Na2O6S2
• Molecular Weight: 432.43 g/mol
• Exact Mass: 432.04
• IUPAC Name: disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride
• SMILES: CC1(C)S[C@@H]2C(NC(=O)Cc3ccsc3C(=O)O)C(=O)N2C1C(=O)O.[H-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C15H16N2O6S2.2Na.2H/c1-15(2)10(14(22)23)17-11(19)8(12(17)25-15)16-7(18)5-6-3-4-24-9(6)13(20)21;;;;/h3-4,8,10,12H,5H2,1-2H3,(H,16,18)(H,20,21)(H,22,23);;;;/q;2*+1;2*-1/t8?,10?,12-;;;;/m1..../s1
• InChIKey: OOSOTDIPEILCEK-DBUKWCLBSA-N
• XLogP: -5.15
• TPSA: 124.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.43
LogP ≤ 5	-5.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride?

The IUPAC name of disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride (CID 173446636) is disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride.

What is the SMILES notation for disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride?

The canonical SMILES for disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride is CC1(C)S[C@@H]2C(NC(=O)Cc3ccsc3C(=O)O)C(=O)N2C1C(=O)O.[H-].[H-].[Na+].[Na+].

What is the InChIKey of disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride?

The InChIKey is OOSOTDIPEILCEK-DBUKWCLBSA-N. The full InChI is InChI=1S/C15H16N2O6S2.2Na.2H/c1-15(2)10(14(22)23)17-11(19)8(12(17)25-15)16-7(18)5-6-3-4-24-9(6)13(20)21;;;;/h3-4,8,10,12H,5H2,1-2H3,(H,16,18)(H,20,21)(H,22,23);;;;/q;2*+1;2*-1/t8?,10?,12-;;;;/m1..../s1.

What are the key properties of disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride?

disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride has a molecular weight of 432.43 g/mol, XLogP of -5.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;(5R)-6-[[2-(2-carboxythiophen-3-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride is sourced from PubChem (CID 173446636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).