4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid

C18H21N3O3 — CID 118690862

About 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid

4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid (PubChem CID 118690862) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
• PubChem CID: 118690862
• Molecular Formula: C18H21N3O3
• Molecular Weight: 327.38 g/mol
• Exact Mass: 327.16
• IUPAC Name: 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
• SMILES: O=C(O)N1CCC([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1
• InChI: InChI=1S/C18H21N3O3/c22-17(12-5-7-20(8-6-12)18(23)24)9-15-13-3-1-2-4-14(13)16-10-19-11-21(15)16/h1-4,10-12,15,17,22H,5-9H2,(H,23,24)/t15-,17-/m1/s1
• InChIKey: QRMXSWHVNUFDCO-NVXWUHKLSA-N
• XLogP: 2.59
• TPSA: 78.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.38
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid?

The IUPAC name of 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid (CID 118690862) is 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid?

The canonical SMILES for 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid is O=C(O)N1CCC([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1.

What is the InChIKey of 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid?

The InChIKey is QRMXSWHVNUFDCO-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(12-5-7-20(8-6-12)18(23)24)9-15-13-3-1-2-4-14(13)16-10-19-11-21(15)16/h1-4,10-12,15,17,22H,5-9H2,(H,23,24)/t15-,17-/m1/s1.

What are the key properties of 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid?

4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118690862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).