2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

C14H16N6O8S — CID 173368557

About 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid

2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 173368557) has the molecular formula C14H16N6O8S and a molecular weight of 428.38 g/mol. Its IUPAC name is 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
• PubChem CID: 173368557
• Molecular Formula: C14H16N6O8S
• Molecular Weight: 428.38 g/mol
• Exact Mass: 428.08
• IUPAC Name: 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
• SMILES: CCON=C(C(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O)c1nsc(N)n1
• InChI: InChI=1S/C14H16N6O8S/c1-2-26-18-8(9-17-13(15)29-19-9)10(22)16-6-5-27-20(11(6)23)14(12(24)25)4-3-7(21)28-14/h6H,2-5H2,1H3,(H,16,22)(H,24,25)(H2,15,17,19)/t6-,14?/m0/s1
• InChIKey: BPAQJMHXFAGLGZ-TZKMECQKSA-N
• XLogP: -1.76
• TPSA: 195.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.38
LogP ≤ 5	-1.76
H-Bond Donors ≤ 5	3
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'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

The IUPAC name of 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 173368557) is 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

What is the SMILES notation for 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

The canonical SMILES for 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is CCON=C(C(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O)c1nsc(N)n1.

What is the InChIKey of 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

The InChIKey is BPAQJMHXFAGLGZ-TZKMECQKSA-N. The full InChI is InChI=1S/C14H16N6O8S/c1-2-26-18-8(9-17-13(15)29-19-9)10(22)16-6-5-27-20(11(6)23)14(12(24)25)4-3-7(21)28-14/h6H,2-5H2,1H3,(H,16,22)(H,24,25)(H2,15,17,19)/t6-,14?/m0/s1.

What are the key properties of 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 428.38 g/mol, XLogP of -1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 173368557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).