2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid

C14H16FN5O8S — CID 85471302

About 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid

2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid (PubChem CID 85471302) has the molecular formula C14H16FN5O8S and a molecular weight of 433.37 g/mol. Its IUPAC name is 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid.

Molecular Properties

• Compound Name: 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid
• PubChem CID: 85471302
• Molecular Formula: C14H16FN5O8S
• Molecular Weight: 433.37 g/mol
• Exact Mass: 433.07
• IUPAC Name: 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid
• SMILES: CC1(C)[C@H](NC(=O)/C(=N\OC(F)C(=O)O)c2csc(N)n2)C(=O)N1OCC(=O)O
• InChI: InChI=1S/C14H16FN5O8S/c1-14(2)8(11(24)20(14)27-3-6(21)22)18-10(23)7(5-4-29-13(16)17-5)19-28-9(15)12(25)26/h4,8-9H,3H2,1-2H3,(H2,16,17)(H,18,23)(H,21,22)(H,25,26)/b19-7-/t8-,9?/m1/s1
• InChIKey: UZUBWCGKQLBHHP-IAGMBTQNSA-N
• XLogP: -1.05
• TPSA: 193.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.37
LogP ≤ 5	-1.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

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-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid?

The IUPAC name of 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid (CID 85471302) is 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid.

What is the SMILES notation for 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid?

The canonical SMILES for 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid is CC1(C)[C@H](NC(=O)/C(=N\OC(F)C(=O)O)c2csc(N)n2)C(=O)N1OCC(=O)O.

What is the InChIKey of 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid?

The InChIKey is UZUBWCGKQLBHHP-IAGMBTQNSA-N. The full InChI is InChI=1S/C14H16FN5O8S/c1-14(2)8(11(24)20(14)27-3-6(21)22)18-10(23)7(5-4-29-13(16)17-5)19-28-9(15)12(25)26/h4,8-9H,3H2,1-2H3,(H2,16,17)(H,18,23)(H,21,22)(H,25,26)/b19-7-/t8-,9?/m1/s1.

What are the key properties of 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid?

2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid has a molecular weight of 433.37 g/mol, XLogP of -1.05, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-(carboxymethoxy)-2,2-dimethyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-fluoroacetic acid is sourced from PubChem (CID 85471302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).