1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide

C26H27N5O5 — CID 162478809

About 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide

1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide (PubChem CID 162478809) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide.

Molecular Properties

• Compound Name: 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide
• PubChem CID: 162478809
• Molecular Formula: C26H27N5O5
• Molecular Weight: 489.53 g/mol
• Exact Mass: 489.20
• IUPAC Name: 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)N3Cc4ccccc4C3(C(N)=O)[C@H](C[C@H]3CCNC3=O)C(N)=O)cc12
• InChI: InChI=1S/C26H27N5O5/c1-36-21-8-4-7-19-16(21)12-20(30-19)24(34)31-13-15-5-2-3-6-17(15)26(31,25(28)35)18(22(27)32)11-14-9-10-29-23(14)33/h2-8,12,14,18,30H,9-11,13H2,1H3,(H2,27,32)(H2,28,35)(H,29,33)/t14-,18-,26?/m1/s1
• InChIKey: GNDNEVXVCDGCOM-QAPRFJCQSA-N
• XLogP: 1.14
• TPSA: 160.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.53
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide?

The IUPAC name of 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide (CID 162478809) is 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide.

What is the SMILES notation for 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide?

The canonical SMILES for 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide is COc1cccc2[nH]c(C(=O)N3Cc4ccccc4C3(C(N)=O)[C@H](C[C@H]3CCNC3=O)C(N)=O)cc12.

What is the InChIKey of 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide?

The InChIKey is GNDNEVXVCDGCOM-QAPRFJCQSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-36-21-8-4-7-19-16(21)12-20(30-19)24(34)31-13-15-5-2-3-6-17(15)26(31,25(28)35)18(22(27)32)11-14-9-10-29-23(14)33/h2-8,12,14,18,30H,9-11,13H2,1H3,(H2,27,32)(H2,28,35)(H,29,33)/t14-,18-,26?/m1/s1.

What are the key properties of 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide?

1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3H-isoindole-1-carboxamide is sourced from PubChem (CID 162478809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).