4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid

C26H28N2O7 — CID 178192493

About 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid

4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid (PubChem CID 178192493) has the molecular formula C26H28N2O7 and a molecular weight of 480.52 g/mol. Its IUPAC name is 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid
• PubChem CID: 178192493
• Molecular Formula: C26H28N2O7
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.19
• IUPAC Name: 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid
• SMILES: O=C(NC[C@@H]1CCO[C@@H]1C(=O)N1CCOC(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C26H28N2O7/c29-24(28-10-12-33-22(14-28)25(30)31)23-16(9-11-34-23)13-27-26(32)35-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21-23H,9-15H2,(H,27,32)(H,30,31)/t16-,22?,23-/m0/s1
• InChIKey: ZEBFIBRLZTWYGH-GDTQQENISA-N
• XLogP: 2.24
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid?

The IUPAC name of 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid (CID 178192493) is 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid.

What is the SMILES notation for 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid?

The canonical SMILES for 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid is O=C(NC[C@@H]1CCO[C@@H]1C(=O)N1CCOC(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid?

The InChIKey is ZEBFIBRLZTWYGH-GDTQQENISA-N. The full InChI is InChI=1S/C26H28N2O7/c29-24(28-10-12-33-22(14-28)25(30)31)23-16(9-11-34-23)13-27-26(32)35-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21-23H,9-15H2,(H,27,32)(H,30,31)/t16-,22?,23-/m0/s1.

What are the key properties of 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid?

4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 480.52 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 178192493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).