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

C27H32N2O6 — CID 178193346

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

3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid (PubChem CID 178193346) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid
• PubChem CID: 178193346
• Molecular Formula: C27H32N2O6
• Molecular Weight: 480.56 g/mol
• Exact Mass: 480.23
• IUPAC Name: 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid
• SMILES: CCCC(CC(=O)O)NC(=O)[C@H]1OCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C27H32N2O6/c1-2-7-18(14-24(30)31)29-26(32)25-17(12-13-34-25)15-28-27(33)35-16-23-21-10-5-3-8-19(21)20-9-4-6-11-22(20)23/h3-6,8-11,17-18,23,25H,2,7,12-16H2,1H3,(H,28,33)(H,29,32)(H,30,31)/t17-,18?,25-/m0/s1
• InChIKey: LCIQTEYMFOICHR-NNKBYCLSSA-N
• XLogP: 3.69
• TPSA: 113.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.56
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid (CID 178193346) is 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid.

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

The canonical SMILES for 3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid is CCCC(CC(=O)O)NC(=O)[C@H]1OCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21.

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

The InChIKey is LCIQTEYMFOICHR-NNKBYCLSSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-2-7-18(14-24(30)31)29-26(32)25-17(12-13-34-25)15-28-27(33)35-16-23-21-10-5-3-8-19(21)20-9-4-6-11-22(20)23/h3-6,8-11,17-18,23,25H,2,7,12-16H2,1H3,(H,28,33)(H,29,32)(H,30,31)/t17-,18?,25-/m0/s1.

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

3-[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]hexanoic acid has a molecular weight of 480.56 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 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]hexanoic acid is sourced from PubChem (CID 178193346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).