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

C15H17N5O8S — CID 14095910

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

2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (PubChem CID 14095910) has the molecular formula C15H17N5O8S and a molecular weight of 427.40 g/mol. Its IUPAC name is 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
• PubChem CID: 14095910
• Molecular Formula: C15H17N5O8S
• Molecular Weight: 427.40 g/mol
• Exact Mass: 427.08
• IUPAC Name: 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid
• SMILES: CCO/N=C(\C(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O)c1csc(N)n1
• InChI: InChI=1S/C15H17N5O8S/c1-2-26-19-10(8-6-29-14(16)18-8)11(22)17-7-5-27-20(12(7)23)15(13(24)25)4-3-9(21)28-15/h6-7H,2-5H2,1H3,(H2,16,18)(H,17,22)(H,24,25)/b19-10-/t7-,15?/m0/s1
• InChIKey: VQFVESLMKBCHPZ-IAJCXRBLSA-N
• XLogP: -1.16
• TPSA: 182.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.40
LogP ≤ 5	-1.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

The IUPAC name of 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid (CID 14095910) is 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-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-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid?

The canonical SMILES for 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is CCO/N=C(\C(=O)N[C@H]1CON(C2(C(=O)O)CCC(=O)O2)C1=O)c1csc(N)n1.

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

The InChIKey is VQFVESLMKBCHPZ-IAJCXRBLSA-N. The full InChI is InChI=1S/C15H17N5O8S/c1-2-26-19-10(8-6-29-14(16)18-8)11(22)17-7-5-27-20(12(7)23)15(13(24)25)4-3-9(21)28-15/h6-7H,2-5H2,1H3,(H2,16,18)(H,17,22)(H,24,25)/b19-10-/t7-,15?/m0/s1.

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

2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 427.40 g/mol, XLogP of -1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 14095910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).