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

C26H28N2O7 — CID 178191221

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

3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 178191221) has the molecular formula C26H28N2O7 and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid
• PubChem CID: 178191221
• Molecular Formula: C26H28N2O7
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.19
• IUPAC Name: 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid
• SMILES: O=C(NC[C@@H]1CCO[C@@H]1C(=O)NC1(C(=O)O)CCOC1)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C26H28N2O7/c29-23(28-26(24(30)31)10-12-33-15-26)22-16(9-11-34-22)13-27-25(32)35-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21-22H,9-15H2,(H,27,32)(H,28,29)(H,30,31)/t16-,22-,26?/m0/s1
• InChIKey: LUQVJZIYKPHLPM-ZJCFBTMHSA-N
• XLogP: 2.29
• TPSA: 123.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid (CID 178191221) is 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid.

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

The canonical SMILES for 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid is O=C(NC[C@@H]1CCO[C@@H]1C(=O)NC1(C(=O)O)CCOC1)OCC1c2ccccc2-c2ccccc21.

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

The InChIKey is LUQVJZIYKPHLPM-ZJCFBTMHSA-N. The full InChI is InChI=1S/C26H28N2O7/c29-23(28-26(24(30)31)10-12-33-15-26)22-16(9-11-34-22)13-27-25(32)35-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21-22H,9-15H2,(H,27,32)(H,28,29)(H,30,31)/t16-,22-,26?/m0/s1.

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

3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 480.52 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 178191221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).