5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid

C28H36N2O6 — CID 69179119

About 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid

5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid (PubChem CID 69179119) has the molecular formula C28H36N2O6 and a molecular weight of 496.60 g/mol. Its IUPAC name is 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid.

Molecular Properties

• Compound Name: 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid
• PubChem CID: 69179119
• Molecular Formula: C28H36N2O6
• Molecular Weight: 496.60 g/mol
• Exact Mass: 496.26
• IUPAC Name: 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid
• SMILES: CC(C)C(C(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)C(=O)OC(C)(C)C
• InChI: InChI=1S/C28H36N2O6/c1-16(2)24(25(29)26(33)36-28(3,4)5)22(14-23(31)32)30-27(34)35-15-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,16,21-22,24-25H,14-15,29H2,1-5H3,(H,30,34)(H,31,32)
• InChIKey: GWSSJVABBZKWNL-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 127.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.60
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid?

The IUPAC name of 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid (CID 69179119) is 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid.

What is the SMILES notation for 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid?

The canonical SMILES for 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid is CC(C)C(C(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)C(=O)OC(C)(C)C.

What is the InChIKey of 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid?

The InChIKey is GWSSJVABBZKWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O6/c1-16(2)24(25(29)26(33)36-28(3,4)5)22(14-23(31)32)30-27(34)35-15-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,16,21-22,24-25H,14-15,29H2,1-5H3,(H,30,34)(H,31,32).

What are the key properties of 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid?

5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid has a molecular weight of 496.60 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-4-propan-2-ylhexanoic acid is sourced from PubChem (CID 69179119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).