tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate

C28H48N2O5Si — CID 10839719

IUPACtert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate
SMILESCN(Cc1ccc([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C28H48N2O5Si/c1-26(2,3)33-24(31)29(10)18-20-13-15-21(16-14-20)23-17-22(35-36(11,12)28(7,8)9)19-30(23)25(32)34-27(4,5)6/h13-16,22-23H,17-19H2,1-12H3/t22-,23-/m1/s1
InChIKeyQLDYFQQQDHKMSD-DHIUTWEWSA-N
MW520.79 g/mol
LogP7.13
Rot. Bonds5

About tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate (PubChem CID 10839719) has the molecular formula C28H48N2O5Si and a molecular weight of 520.79 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate
PubChem CID10839719
Molecular FormulaC28H48N2O5Si
Molecular Weight520.79 g/mol
Exact Mass520.33
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate
SMILESCN(Cc1ccc([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C28H48N2O5Si/c1-26(2,3)33-24(31)29(10)18-20-13-15-21(16-14-20)23-17-22(35-36(11,12)28(7,8)9)19-30(23)25(32)34-27(4,5)6/h13-16,22-23H,17-19H2,1-12H3/t22-,23-/m1/s1
InChIKeyQLDYFQQQDHKMSD-DHIUTWEWSA-N
XLogP7.13
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.79
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate (CID 10839719) is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate is CN(Cc1ccc([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate?
The InChIKey is QLDYFQQQDHKMSD-DHIUTWEWSA-N. The full InChI is InChI=1S/C28H48N2O5Si/c1-26(2,3)33-24(31)29(10)18-20-13-15-21(16-14-20)23-17-22(35-36(11,12)28(7,8)9)19-30(23)25(32)34-27(4,5)6/h13-16,22-23H,17-19H2,1-12H3/t22-,23-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate has a molecular weight of 520.79 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10839719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).