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

C22H32N4O4 — CID 67270268

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

(2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid (PubChem CID 67270268) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is (2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: (2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid
• PubChem CID: 67270268
• Molecular Formula: C22H32N4O4
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.24
• IUPAC Name: (2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid
• SMILES: CC(C)n1nc(C(=O)N[C@@H]2CC[C@H](CCC(C)(C)O)N(C(=O)O)C2)c2ccccc21
• InChI: InChI=1S/C22H32N4O4/c1-14(2)26-18-8-6-5-7-17(18)19(24-26)20(27)23-15-9-10-16(11-12-22(3,4)30)25(13-15)21(28)29/h5-8,14-16,30H,9-13H2,1-4H3,(H,23,27)(H,28,29)/t15-,16-/m1/s1
• InChIKey: HEYJTPKWJKSGQW-HZPDHXFCSA-N
• XLogP: 3.41
• TPSA: 107.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid (CID 67270268) is (2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid.

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

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

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

The InChIKey is HEYJTPKWJKSGQW-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-14(2)26-18-8-6-5-7-17(18)19(24-26)20(27)23-15-9-10-16(11-12-22(3,4)30)25(13-15)21(28)29/h5-8,14-16,30H,9-13H2,1-4H3,(H,23,27)(H,28,29)/t15-,16-/m1/s1.

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

(2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid has a molecular weight of 416.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67270268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).