3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

C28H34N2O6 — CID 165469281

About 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (PubChem CID 165469281) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
• PubChem CID: 165469281
• Molecular Formula: C28H34N2O6
• Molecular Weight: 494.59 g/mol
• Exact Mass: 494.24
• IUPAC Name: 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
• SMILES: CCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C28H34N2O6/c1-5-30(28(24(31)32)15-10-16-29(18-28)25(33)36-27(2,3)4)26(34)35-17-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,23H,5,10,15-18H2,1-4H3,(H,31,32)
• InChIKey: WBVGUIOCYMUJIX-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 96.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.59
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?

The IUPAC name of 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (CID 165469281) is 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.

What is the SMILES notation for 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?

The canonical SMILES for 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is CCN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1.

What is the InChIKey of 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?

The InChIKey is WBVGUIOCYMUJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-5-30(28(24(31)32)15-10-16-29(18-28)25(33)36-27(2,3)4)26(34)35-17-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,23H,5,10,15-18H2,1-4H3,(H,31,32).

What are the key properties of 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?

3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid has a molecular weight of 494.59 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 165469281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).