(2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate

C28H38N2O5Si — CID 59904113

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate
SMILESCNC(Cc1ccccc1)[C@@H](Cc1ccccc1C(=O)ON1C(=O)CCC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H38N2O5Si/c1-28(2,3)36(5,6)35-24(23(29-4)18-20-12-8-7-9-13-20)19-21-14-10-11-15-22(21)27(33)34-30-25(31)16-17-26(30)32/h7-15,23-24,29H,16-19H2,1-6H3/t23?,24-/m1/s1
InChIKeyPZGKSLWUHWIHHF-XMMISQBUSA-N
MW510.71 g/mol
LogP4.67
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate

(2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate (PubChem CID 59904113) has the molecular formula C28H38N2O5Si and a molecular weight of 510.71 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate
PubChem CID59904113
Molecular FormulaC28H38N2O5Si
Molecular Weight510.71 g/mol
Exact Mass510.25
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate
SMILESCNC(Cc1ccccc1)[C@@H](Cc1ccccc1C(=O)ON1C(=O)CCC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H38N2O5Si/c1-28(2,3)36(5,6)35-24(23(29-4)18-20-12-8-7-9-13-20)19-21-14-10-11-15-22(21)27(33)34-30-25(31)16-17-26(30)32/h7-15,23-24,29H,16-19H2,1-6H3/t23?,24-/m1/s1
InChIKeyPZGKSLWUHWIHHF-XMMISQBUSA-N
XLogP4.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.71
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 59904123
CID 59904123
(2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate
CID 166873105
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]benzoate
CID 167361533
ethyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate
CID 11419586
methyl 2-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate
CID 87429404
2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 174601955
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 15817683
methyl (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11271071
(2,5-dioxopyrrolidin-1-yl) 2-[(pyridin-2-yldisulfanyl)methyl]benzoate
CID 87286460
(2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate
CID 19166619
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate (CID 59904113) is (2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate is CNC(Cc1ccccc1)[C@@H](Cc1ccccc1C(=O)ON1C(=O)CCC1=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate?
The InChIKey is PZGKSLWUHWIHHF-XMMISQBUSA-N. The full InChI is InChI=1S/C28H38N2O5Si/c1-28(2,3)36(5,6)35-24(23(29-4)18-20-12-8-7-9-13-20)19-21-14-10-11-15-22(21)27(33)34-30-25(31)16-17-26(30)32/h7-15,23-24,29H,16-19H2,1-6H3/t23?,24-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate?
(2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate has a molecular weight of 510.71 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate is sourced from PubChem (CID 59904113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).