(3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C25H29NO6 — CID 59669590

About (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 59669590) has the molecular formula C25H29NO6 and a molecular weight of 439.51 g/mol. Its IUPAC name is (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
• PubChem CID: 59669590
• Molecular Formula: C25H29NO6
• Molecular Weight: 439.51 g/mol
• Exact Mass: 439.20
• IUPAC Name: (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
• SMILES: C[C@H](CC(=O)OC(C)(C)C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
• InChI: InChI=1S/C25H29NO6/c1-15(13-21(27)32-25(2,3)4)22(23(28)29)26-24(30)31-14-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,15,20,22H,13-14H2,1-4H3,(H,26,30)(H,28,29)/t15-,22?/m1/s1
• InChIKey: HYWKADVVVLDYEH-JGHKVMFLSA-N
• XLogP: 4.35
• TPSA: 101.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.51
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?

The IUPAC name of (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 59669590) is (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

What is the SMILES notation for (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?

The canonical SMILES for (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is C[C@H](CC(=O)OC(C)(C)C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.

What is the InChIKey of (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?

The InChIKey is HYWKADVVVLDYEH-JGHKVMFLSA-N. The full InChI is InChI=1S/C25H29NO6/c1-15(13-21(27)32-25(2,3)4)22(23(28)29)26-24(30)31-14-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,15,20,22H,13-14H2,1-4H3,(H,26,30)(H,28,29)/t15-,22?/m1/s1.

What are the key properties of (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?

(3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 439.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 59669590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).