sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride

C17H24N7NaO9S2 — CID 173396990

About sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride

sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride (PubChem CID 173396990) has the molecular formula C17H24N7NaO9S2 and a molecular weight of 557.54 g/mol. Its IUPAC name is sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride.

Molecular Properties

• Compound Name: sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride
• PubChem CID: 173396990
• Molecular Formula: C17H24N7NaO9S2
• Molecular Weight: 557.54 g/mol
• Exact Mass: 557.10
• IUPAC Name: sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride
• SMILES: NC(=O)OC[C@@H]1[C@H](NC(=O)C(=NOCC(=O)N2CCCCC2)c2csc(N)n2)C(=O)N1S(=O)(=O)O.[H-].[Na+]
• InChI: InChI=1S/C17H23N7O9S2.Na.H/c18-16-20-9(8-34-16)12(22-33-7-11(25)23-4-2-1-3-5-23)14(26)21-13-10(6-32-17(19)28)24(15(13)27)35(29,30)31;;/h8,10,13H,1-7H2,(H2,18,20)(H2,19,28)(H,21,26)(H,29,30,31);;/q;+1;-1/t10-,13+;;/m1../s1
• InChIKey: JEWVILOLDZMMIC-SRSVFUAYSA-N
• XLogP: -4.83
• TPSA: 236.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.54
LogP ≤ 5	-4.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride?

The IUPAC name of sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride (CID 173396990) is sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride.

What is the SMILES notation for sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride?

The canonical SMILES for sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride is NC(=O)OC[C@@H]1[C@H](NC(=O)C(=NOCC(=O)N2CCCCC2)c2csc(N)n2)C(=O)N1S(=O)(=O)O.[H-].[Na+].

What is the InChIKey of sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride?

The InChIKey is JEWVILOLDZMMIC-SRSVFUAYSA-N. The full InChI is InChI=1S/C17H23N7O9S2.Na.H/c18-16-20-9(8-34-16)12(22-33-7-11(25)23-4-2-1-3-5-23)14(26)21-13-10(6-32-17(19)28)24(15(13)27)35(29,30)31;;/h8,10,13H,1-7H2,(H2,18,20)(H2,19,28)(H,21,26)(H,29,30,31);;/q;+1;-1/t10-,13+;;/m1../s1.

What are the key properties of sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride?

sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride has a molecular weight of 557.54 g/mol, XLogP of -4.83, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride is sourced from PubChem (CID 173396990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).