benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate

C34H34FN5O7 — CID 118958211

About benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate

benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate (PubChem CID 118958211) has the molecular formula C34H34FN5O7 and a molecular weight of 643.67 g/mol. Its IUPAC name is benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate
• PubChem CID: 118958211
• Molecular Formula: C34H34FN5O7
• Molecular Weight: 643.67 g/mol
• Exact Mass: 643.24
• IUPAC Name: benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate
• SMILES: CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)CC2CN(C(=O)OCc3ccccc3)C2)C1=O
• InChI: InChI=1S/C34H34FN5O7/c1-36-31(43)37-27-11-12-28-25(15-27)13-14-34(28)30(42)40(33(45)47-34)20-29(41)38(16-22-7-9-26(35)10-8-22)17-24-18-39(19-24)32(44)46-21-23-5-3-2-4-6-23/h2-12,15,24H,13-14,16-21H2,1H3,(H2,36,37,43)/t34-/m1/s1
• InChIKey: WNDFREDVCUZQEZ-UUWRZZSWSA-N
• XLogP: 3.99
• TPSA: 137.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.67
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate?

The IUPAC name of benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate (CID 118958211) is benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate.

What is the SMILES notation for benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate?

The canonical SMILES for benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)CC2CN(C(=O)OCc3ccccc3)C2)C1=O.

What is the InChIKey of benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate?

The InChIKey is WNDFREDVCUZQEZ-UUWRZZSWSA-N. The full InChI is InChI=1S/C34H34FN5O7/c1-36-31(43)37-27-11-12-28-25(15-27)13-14-34(28)30(42)40(33(45)47-34)20-29(41)38(16-22-7-9-26(35)10-8-22)17-24-18-39(19-24)32(44)46-21-23-5-3-2-4-6-23/h2-12,15,24H,13-14,16-21H2,1H3,(H2,36,37,43)/t34-/m1/s1.

What are the key properties of benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate?

benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate has a molecular weight of 643.67 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 118958211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).