(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide

C26H29N5O6 — CID 50997176

About (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide (PubChem CID 50997176) has the molecular formula C26H29N5O6 and a molecular weight of 507.55 g/mol. Its IUPAC name is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

• Compound Name: (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide
• PubChem CID: 50997176
• Molecular Formula: C26H29N5O6
• Molecular Weight: 507.55 g/mol
• Exact Mass: 507.21
• IUPAC Name: (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide
• SMILES: CO[C@H]1CCN(C(=O)c2cccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc5c(c4)CN=C5N)C3=O)c2)C1
• InChI: InChI=1S/C26H29N5O6/c1-36-19-7-8-30(14-19)25(34)15-3-2-4-18(12-15)31-9-10-37-22(26(31)35)21(32)24(33)29-17-5-6-20-16(11-17)13-28-23(20)27/h2-6,11-12,19,21-22,32H,7-10,13-14H2,1H3,(H2,27,28)(H,29,33)/t19-,21+,22+/m0/s1
• InChIKey: WMTKTQXGPVYEDF-KSEOMHKRSA-N
• XLogP: 0.50
• TPSA: 146.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.55
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide?

The IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide (CID 50997176) is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide.

What is the SMILES notation for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide?

The canonical SMILES for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide is CO[C@H]1CCN(C(=O)c2cccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc5c(c4)CN=C5N)C3=O)c2)C1.

What is the InChIKey of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide?

The InChIKey is WMTKTQXGPVYEDF-KSEOMHKRSA-N. The full InChI is InChI=1S/C26H29N5O6/c1-36-19-7-8-30(14-19)25(34)15-3-2-4-18(12-15)31-9-10-37-22(26(31)35)21(32)24(33)29-17-5-6-20-16(11-17)13-28-23(20)27/h2-6,11-12,19,21-22,32H,7-10,13-14H2,1H3,(H2,27,28)(H,29,33)/t19-,21+,22+/m0/s1.

What are the key properties of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide?

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide has a molecular weight of 507.55 g/mol, XLogP of 0.50, 6 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-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 50997176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).