(2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid

C21H30N4O4 — CID 67270165

About (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid

(2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid (PubChem CID 67270165) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid
• PubChem CID: 67270165
• Molecular Formula: C21H30N4O4
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.23
• IUPAC Name: (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid
• SMILES: CC(C)n1nc(C(=O)N[C@H]2CC[C@@H](CC(C)(C)O)N(C(=O)O)C2)c2ccccc21
• InChI: InChI=1S/C21H30N4O4/c1-13(2)25-17-8-6-5-7-16(17)18(23-25)19(26)22-14-9-10-15(11-21(3,4)29)24(12-14)20(27)28/h5-8,13-15,29H,9-12H2,1-4H3,(H,22,26)(H,27,28)/t14-,15-/m0/s1
• InChIKey: HYLQQGQLARDAPK-GJZGRUSLSA-N
• XLogP: 3.02
• TPSA: 107.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid?

The IUPAC name of (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid (CID 67270165) is (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid.

What is the SMILES notation for (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid?

The canonical SMILES for (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid is CC(C)n1nc(C(=O)N[C@H]2CC[C@@H](CC(C)(C)O)N(C(=O)O)C2)c2ccccc21.

What is the InChIKey of (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid?

The InChIKey is HYLQQGQLARDAPK-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-13(2)25-17-8-6-5-7-16(17)18(23-25)19(26)22-14-9-10-15(11-21(3,4)29)24(12-14)20(27)28/h5-8,13-15,29H,9-12H2,1-4H3,(H,22,26)(H,27,28)/t14-,15-/m0/s1.

What are the key properties of (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid?

(2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid has a molecular weight of 402.50 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67270165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).