2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid

C22H19N7O13S — CID 170340946

About 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid

2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid (PubChem CID 170340946) has the molecular formula C22H19N7O13S and a molecular weight of 621.50 g/mol. Its IUPAC name is 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid
• PubChem CID: 170340946
• Molecular Formula: C22H19N7O13S
• Molecular Weight: 621.50 g/mol
• Exact Mass: 621.08
• IUPAC Name: 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid
• SMILES: Nc1nc(/C(=N/OCC(=O)O)C(=O)N[C@H]2CON(C3(C(=O)O)CC(n4cc5cc(O)c(O)cn5c4=O)C(=O)O3)C2=O)cs1
• InChI: InChI=1S/C22H19N7O13S/c23-20-25-10(7-43-20)15(26-40-6-14(32)33)16(34)24-9-5-41-29(17(9)35)22(19(37)38)2-11(18(36)42-22)28-3-8-1-12(30)13(31)4-27(8)21(28)39/h1,3-4,7,9,11,30-31H,2,5-6H2,(H2,23,25)(H,24,34)(H,32,33)(H,37,38)/b26-15-/t9-,11?,22?/m0/s1
• InChIKey: AUADYHQMRGWIOS-GUMOPSLOSA-N
• XLogP: -2.42
• TPSA: 286.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	621.50
LogP ≤ 5	-2.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

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-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid?

The IUPAC name of 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid (CID 170340946) is 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-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-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid?

The canonical SMILES for 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid is Nc1nc(/C(=N/OCC(=O)O)C(=O)N[C@H]2CON(C3(C(=O)O)CC(n4cc5cc(O)c(O)cn5c4=O)C(=O)O3)C2=O)cs1.

What is the InChIKey of 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid?

The InChIKey is AUADYHQMRGWIOS-GUMOPSLOSA-N. The full InChI is InChI=1S/C22H19N7O13S/c23-20-25-10(7-43-20)15(26-40-6-14(32)33)16(34)24-9-5-41-29(17(9)35)22(19(37)38)2-11(18(36)42-22)28-3-8-1-12(30)13(31)4-27(8)21(28)39/h1,3-4,7,9,11,30-31H,2,5-6H2,(H2,23,25)(H,24,34)(H,32,33)(H,37,38)/b26-15-/t9-,11?,22?/m0/s1.

What are the key properties of 2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid?

2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid has a molecular weight of 621.50 g/mol, XLogP of -2.42, 9 rotatable bonds, 6 hydrogen bond donors, and 17 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-(carboxymethoxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(6,7-dihydroxy-3-oxoimidazo[1,5-a]pyridin-2-yl)-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 170340946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).