(2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide

C24H24FN5O6 — CID 58290593

About (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide

(2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide (PubChem CID 58290593) has the molecular formula C24H24FN5O6 and a molecular weight of 497.48 g/mol. Its IUPAC name is (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide.

Molecular Properties

• Compound Name: (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
• PubChem CID: 58290593
• Molecular Formula: C24H24FN5O6
• Molecular Weight: 497.48 g/mol
• Exact Mass: 497.17
• IUPAC Name: (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
• SMILES: NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(N5CCOCC5=O)c4)C3=O)cc(F)c21
• InChI: InChI=1S/C24H24FN5O6/c25-17-9-14(8-13-11-27-22(26)19(13)17)28-23(33)20(32)21-24(34)30(5-7-36-21)16-3-1-2-15(10-16)29-4-6-35-12-18(29)31/h1-3,8-10,20-21,32H,4-7,11-12H2,(H2,26,27)(H,28,33)/t20-,21-/m1/s1
• InChIKey: KSNNHQCYEJJXRB-NHCUHLMSSA-N
• XLogP: 0.14
• TPSA: 146.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.48
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?

The IUPAC name of (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide (CID 58290593) is (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide.

What is the SMILES notation for (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?

The canonical SMILES for (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide is NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(N5CCOCC5=O)c4)C3=O)cc(F)c21.

What is the InChIKey of (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?

The InChIKey is KSNNHQCYEJJXRB-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H24FN5O6/c25-17-9-14(8-13-11-27-22(26)19(13)17)28-23(33)20(32)21-24(34)30(5-7-36-21)16-3-1-2-15(10-16)29-4-6-35-12-18(29)31/h1-3,8-10,20-21,32H,4-7,11-12H2,(H2,26,27)(H,28,33)/t20-,21-/m1/s1.

What are the key properties of (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?

(2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide has a molecular weight of 497.48 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 58290593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).