(2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid

C26H34N4O6Si — CID 174050698

About (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid

(2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid (PubChem CID 174050698) has the molecular formula C26H34N4O6Si and a molecular weight of 526.67 g/mol. Its IUPAC name is (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid
• PubChem CID: 174050698
• Molecular Formula: C26H34N4O6Si
• Molecular Weight: 526.67 g/mol
• Exact Mass: 526.22
• IUPAC Name: (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid
• SMILES: COc1cccc2[nH]c(C(=O)N3C[Si]4(CCCC4)CC3C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)O)cc12
• InChI: InChI=1S/C26H34N4O6Si/c1-36-22-8-4-7-18-17(22)13-19(28-18)25(33)30-15-37(10-2-3-11-37)14-21(30)24(32)29-20(26(34)35)12-16-6-5-9-27-23(16)31/h4,7-8,13,16,20-21,28H,2-3,5-6,9-12,14-15H2,1H3,(H,27,31)(H,29,32)(H,34,35)/t16-,20-,21?/m0/s1
• InChIKey: GJEARKMAGYQNBU-SQWITBJMSA-N
• XLogP: 2.27
• TPSA: 140.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.67
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid?

The IUPAC name of (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid (CID 174050698) is (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid.

What is the SMILES notation for (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid?

The canonical SMILES for (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid is COc1cccc2[nH]c(C(=O)N3C[Si]4(CCCC4)CC3C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)O)cc12.

What is the InChIKey of (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid?

The InChIKey is GJEARKMAGYQNBU-SQWITBJMSA-N. The full InChI is InChI=1S/C26H34N4O6Si/c1-36-22-8-4-7-18-17(22)13-19(28-18)25(33)30-15-37(10-2-3-11-37)14-21(30)24(32)29-20(26(34)35)12-16-6-5-9-27-23(16)31/h4,7-8,13,16,20-21,28H,2-3,5-6,9-12,14-15H2,1H3,(H,27,31)(H,29,32)(H,34,35)/t16-,20-,21?/m0/s1.

What are the key properties of (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid?

(2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid has a molecular weight of 526.67 g/mol, XLogP of 2.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid is sourced from PubChem (CID 174050698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).