2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid

C28H30N2O5 — CID 170883198

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid (PubChem CID 170883198) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid.

Molecular Properties

• Compound Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid
• PubChem CID: 170883198
• Molecular Formula: C28H30N2O5
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.22
• IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid
• SMILES: CC1CCCCN1c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)o1
• InChI: InChI=1S/C28H30N2O5/c1-18-8-6-7-15-30(18)26-14-13-19(35-26)16-25(27(31)32)29-28(33)34-17-24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-5,9-14,18,24-25H,6-8,15-17H2,1H3,(H,29,33)(H,31,32)
• InChIKey: BDVKYXAVRVDAHN-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 92.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid?

The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid (CID 170883198) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid.

What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid?

The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid is CC1CCCCN1c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)o1.

What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid?

The InChIKey is BDVKYXAVRVDAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-18-8-6-7-15-30(18)26-14-13-19(35-26)16-25(27(31)32)29-28(33)34-17-24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-5,9-14,18,24-25H,6-8,15-17H2,1H3,(H,29,33)(H,31,32).

What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid?

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid has a molecular weight of 474.56 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propanoic acid is sourced from PubChem (CID 170883198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).