4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid

C30H38N2O6 — CID 165494291

About 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid

4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid (PubChem CID 165494291) has the molecular formula C30H38N2O6 and a molecular weight of 522.64 g/mol. Its IUPAC name is 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid.

Molecular Properties

• Compound Name: 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid
• PubChem CID: 165494291
• Molecular Formula: C30H38N2O6
• Molecular Weight: 522.64 g/mol
• Exact Mass: 522.27
• IUPAC Name: 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid
• SMILES: CC(C)(C)OC(=O)N1CCCCC1CN(CCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C30H38N2O6/c1-30(2,3)38-29(36)32-18-9-8-11-21(32)19-31(17-10-16-27(33)34)28(35)37-20-26-24-14-6-4-12-22(24)23-13-5-7-15-25(23)26/h4-7,12-15,21,26H,8-11,16-20H2,1-3H3,(H,33,34)
• InChIKey: PUEXQGQOMXVBTF-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 96.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.64
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid?

The IUPAC name of 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid (CID 165494291) is 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid.

What is the SMILES notation for 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid?

The canonical SMILES for 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid is CC(C)(C)OC(=O)N1CCCCC1CN(CCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid?

The InChIKey is PUEXQGQOMXVBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O6/c1-30(2,3)38-29(36)32-18-9-8-11-21(32)19-31(17-10-16-27(33)34)28(35)37-20-26-24-14-6-4-12-22(24)23-13-5-7-15-25(23)26/h4-7,12-15,21,26H,8-11,16-20H2,1-3H3,(H,33,34).

What are the key properties of 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid?

4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid has a molecular weight of 522.64 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9H-fluoren-9-ylmethoxycarbonyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]amino]butanoic acid is sourced from PubChem (CID 165494291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).