3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

C34H38N2O7 — CID 129011257

About 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 129011257) has the molecular formula C34H38N2O7 and a molecular weight of 586.69 g/mol. Its IUPAC name is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
• PubChem CID: 129011257
• Molecular Formula: C34H38N2O7
• Molecular Weight: 586.69 g/mol
• Exact Mass: 586.27
• IUPAC Name: 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
• SMILES: CC(C)(C)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N2C(C(=O)O)COC2(C)C)cc1
• InChI: InChI=1S/C34H38N2O7/c1-33(2,3)43-22-16-14-21(15-17-22)18-28(30(37)36-29(31(38)39)20-42-34(36,4)5)35-32(40)41-19-27-25-12-8-6-10-23(25)24-11-7-9-13-26(24)27/h6-17,27-29H,18-20H2,1-5H3,(H,35,40)(H,38,39)
• InChIKey: DNJYPUYQFPFOKS-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.69
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?

The IUPAC name of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid (CID 129011257) is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid.

What is the SMILES notation for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?

The canonical SMILES for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid is CC(C)(C)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N2C(C(=O)O)COC2(C)C)cc1.

What is the InChIKey of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?

The InChIKey is DNJYPUYQFPFOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O7/c1-33(2,3)43-22-16-14-21(15-17-22)18-28(30(37)36-29(31(38)39)20-42-34(36,4)5)35-32(40)41-19-27-25-12-8-6-10-23(25)24-11-7-9-13-26(24)27/h6-17,27-29H,18-20H2,1-5H3,(H,35,40)(H,38,39).

What are the key properties of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid?

3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 586.69 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 129011257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).