[2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid

C24H25FN4O8 — CID 67033508

About [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid

[2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid (PubChem CID 67033508) has the molecular formula C24H25FN4O8 and a molecular weight of 516.48 g/mol. Its IUPAC name is [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid.

Molecular Properties

• Compound Name: [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid
• PubChem CID: 67033508
• Molecular Formula: C24H25FN4O8
• Molecular Weight: 516.48 g/mol
• Exact Mass: 516.17
• IUPAC Name: [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid
• SMILES: O=C(O)NCc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(N4CCOCC4=O)c3)C2=O)cc1F
• InChI: InChI=1S/C24H25FN4O8/c25-18-10-15(5-4-14(18)12-26-24(34)35)27-22(32)20(31)21-23(33)29(7-9-37-21)17-3-1-2-16(11-17)28-6-8-36-13-19(28)30/h1-5,10-11,20-21,26,31H,6-9,12-13H2,(H,27,32)(H,34,35)/t20-,21-/m1/s1
• InChIKey: SFXNRSGKIXALJB-NHCUHLMSSA-N
• XLogP: 0.69
• TPSA: 157.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.48
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid?

The IUPAC name of [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid (CID 67033508) is [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid.

What is the SMILES notation for [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid?

The canonical SMILES for [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid is O=C(O)NCc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(N4CCOCC4=O)c3)C2=O)cc1F.

What is the InChIKey of [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid?

The InChIKey is SFXNRSGKIXALJB-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H25FN4O8/c25-18-10-15(5-4-14(18)12-26-24(34)35)27-22(32)20(31)21-23(33)29(7-9-37-21)17-3-1-2-16(11-17)28-6-8-36-13-19(28)30/h1-5,10-11,20-21,26,31H,6-9,12-13H2,(H,27,32)(H,34,35)/t20-,21-/m1/s1.

What are the key properties of [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid?

[2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid has a molecular weight of 516.48 g/mol, XLogP of 0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid is sourced from PubChem (CID 67033508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).