3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid

C26H25N3O6 — CID 165447278

About 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid

3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid (PubChem CID 165447278) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid
• PubChem CID: 165447278
• Molecular Formula: C26H25N3O6
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.17
• IUPAC Name: 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid
• SMILES: O=C(O)CCC1CN(C(=O)c2ncoc2CNC(=O)OCC2c3ccccc3-c3ccccc32)C1
• InChI: InChI=1S/C26H25N3O6/c30-23(31)10-9-16-12-29(13-16)25(32)24-22(35-15-28-24)11-27-26(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,27,33)(H,30,31)
• InChIKey: DASZFRXHOFNPTI-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 121.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid?

The IUPAC name of 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid (CID 165447278) is 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid.

What is the SMILES notation for 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid?

The canonical SMILES for 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid is O=C(O)CCC1CN(C(=O)c2ncoc2CNC(=O)OCC2c3ccccc3-c3ccccc32)C1.

What is the InChIKey of 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid?

The InChIKey is DASZFRXHOFNPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c30-23(31)10-9-16-12-29(13-16)25(32)24-22(35-15-28-24)11-27-26(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,27,33)(H,30,31).

What are the key properties of 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid?

3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid has a molecular weight of 475.50 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 165447278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).