About (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 58181526) has the molecular formula C25H26FN5O6
and a molecular weight of 511.51 g/mol. Its IUPAC name is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
Molecular Properties
| Compound Name | (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide |
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| PubChem CID | 58181526 |
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| Molecular Formula | C25H26FN5O6 |
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| Molecular Weight | 511.51 g/mol |
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| Exact Mass | 511.19 |
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| IUPAC Name | (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide |
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| SMILES | NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(F)c(C(=O)N5CCOCC5)c4)C3=O)ccc21 |
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| InChI | InChI=1S/C25H26FN5O6/c26-19-4-2-16(12-18(19)24(34)30-5-8-36-9-6-30)31-7-10-37-21(25(31)35)20(32)23(33)29-15-1-3-17-14(11-15)13-28-22(17)27/h1-4,11-12,20-21,32H,5-10,13H2,(H2,27,28)(H,29,33)/t20-,21-/m1/s1 |
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| InChIKey | ZRZGZVHVOBYTAY-NHCUHLMSSA-N |
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| XLogP | 0.25 |
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| TPSA | 146.79 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 511.51 |
| LogP ≤ 5 | 0.25 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 58181526) is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide is NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(F)c(C(=O)N5CCOCC5)c4)C3=O)ccc21.
What is the InChIKey of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is ZRZGZVHVOBYTAY-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H26FN5O6/c26-19-4-2-16(12-18(19)24(34)30-5-8-36-9-6-30)31-7-10-37-21(25(31)35)20(32)23(33)29-15-1-3-17-14(11-15)13-28-22(17)27/h1-4,11-12,20-21,32H,5-10,13H2,(H2,27,28)(H,29,33)/t20-,21-/m1/s1.
What are the key properties of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 511.51 g/mol, XLogP of 0.25, 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-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 58181526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).