cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C26H25N3O6 — CID 178198555

About cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 178198555) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
• PubChem CID: 178198555
• Molecular Formula: C26H25N3O6
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.17
• IUPAC Name: cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
• SMILES: O=C(NCc1ocnc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C26H25N3O6/c30-24(29-21-11-5-10-19(21)25(31)32)23-22(35-14-28-23)12-27-26(33)34-13-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-4,6-9,14,19-21H,5,10-13H2,(H,27,33)(H,29,30)(H,31,32)/t19-,21+/m0/s1
• InChIKey: PCMVIMAYYUYRFG-PZJWPPBQSA-N
• XLogP: 3.70
• TPSA: 130.76 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	475.50
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 178198555) is cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(NCc1ocnc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?

The InChIKey is PCMVIMAYYUYRFG-PZJWPPBQSA-N. The full InChI is InChI=1S/C26H25N3O6/c30-24(29-21-11-5-10-19(21)25(31)32)23-22(35-14-28-23)12-27-26(33)34-13-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-4,6-9,14,19-21H,5,10-13H2,(H,27,33)(H,29,30)(H,31,32)/t19-,21+/m0/s1.

What are the key properties of cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?

cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 475.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 178198555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).