(2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate

C31H40N2O7Si — CID 155788475

About (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate

(2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate (PubChem CID 155788475) has the molecular formula C31H40N2O7Si and a molecular weight of 580.75 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
• PubChem CID: 155788475
• Molecular Formula: C31H40N2O7Si
• Molecular Weight: 580.75 g/mol
• Exact Mass: 580.26
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
• SMILES: C[C@H](C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O)[C@@H](C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C31H40N2O7Si/c1-19(20(2)40-41(6,7)31(3,4)5)28(29(36)39-33-26(34)16-17-27(33)35)32-30(37)38-18-25-23-14-10-8-12-21(23)22-13-9-11-15-24(22)25/h8-15,19-20,25,28H,16-18H2,1-7H3,(H,32,37)/t19-,20+,28?/m0/s1
• InChIKey: PUOCCVMJRBKOMK-VWGXNCFZSA-N
• XLogP: 5.55
• TPSA: 111.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.75
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate (CID 155788475) is (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate is C[C@H](C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O)[C@@H](C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate?

The InChIKey is PUOCCVMJRBKOMK-VWGXNCFZSA-N. The full InChI is InChI=1S/C31H40N2O7Si/c1-19(20(2)40-41(6,7)31(3,4)5)28(29(36)39-33-26(34)16-17-27(33)35)32-30(37)38-18-25-23-14-10-8-12-21(23)22-13-9-11-15-24(22)25/h8-15,19-20,25,28H,16-18H2,1-7H3,(H,32,37)/t19-,20+,28?/m0/s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate?

(2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate has a molecular weight of 580.75 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate is sourced from PubChem (CID 155788475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).