disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

C17H17N5Na2O10S — CID 14095865

About disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 14095865) has the molecular formula C17H17N5Na2O10S and a molecular weight of 529.40 g/mol. Its IUPAC name is disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

• Compound Name: disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
• PubChem CID: 14095865
• Molecular Formula: C17H17N5Na2O10S
• Molecular Weight: 529.40 g/mol
• Exact Mass: 529.05
• IUPAC Name: disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
• SMILES: CC(C)(O/N=C(\C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O)c1csc(N)n1)C(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C17H19N5O10S.2Na/c1-16(2,13(26)27)32-21-10(8-6-33-15(18)20-8)11(24)19-7-5-30-22(12(7)25)17(14(28)29)4-3-9(23)31-17;;/h6-7H,3-5H2,1-2H3,(H2,18,20)(H,19,24)(H,26,27)(H,28,29);;/q;2*+1/p-2/b21-10-;;/t7-,17?;;/m0../s1
• InChIKey: FRTNYRSJMGPGHI-IGORFBCXSA-L
• XLogP: -9.98
• TPSA: 225.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.40
LogP ≤ 5	-9.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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 disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The IUPAC name of disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 14095865) is disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

What is the SMILES notation for disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The canonical SMILES for disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is CC(C)(O/N=C(\C(=O)N[C@H]1CON(C2(C(=O)[O-])CCC(=O)O2)C1=O)c1csc(N)n1)C(=O)[O-].[Na+].[Na+].

What is the InChIKey of disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

The InChIKey is FRTNYRSJMGPGHI-IGORFBCXSA-L. The full InChI is InChI=1S/C17H19N5O10S.2Na/c1-16(2,13(26)27)32-21-10(8-6-33-15(18)20-8)11(24)19-7-5-30-22(12(7)25)17(14(28)29)4-3-9(23)31-17;;/h6-7H,3-5H2,1-2H3,(H2,18,20)(H,19,24)(H,26,27)(H,28,29);;/q;2*+1/p-2/b21-10-;;/t7-,17?;;/m0../s1.

What are the key properties of disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?

disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 529.40 g/mol, XLogP of -9.98, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxylatopropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 14095865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).