tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate

C24H46N2O7Si — CID 57270456

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESCN(C(=O)CC(O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C24H46N2O7Si/c1-22(2,3)31-20(29)25(10)19(28)14-18(27)17-13-16(33-34(11,12)24(7,8)9)15-26(17)21(30)32-23(4,5)6/h16-18,27H,13-15H2,1-12H3/t16-,17+,18?/m1/s1
InChIKeyHCHWOTZHIOZTET-DVKDBIPTSA-N
MW502.73 g/mol
LogP4.53
Rot. Bonds5

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate (PubChem CID 57270456) has the molecular formula C24H46N2O7Si and a molecular weight of 502.73 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate
PubChem CID57270456
Molecular FormulaC24H46N2O7Si
Molecular Weight502.73 g/mol
Exact Mass502.31
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESCN(C(=O)CC(O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C24H46N2O7Si/c1-22(2,3)31-20(29)25(10)19(28)14-18(27)17-13-16(33-34(11,12)24(7,8)9)15-26(17)21(30)32-23(4,5)6/h16-18,27H,13-15H2,1-12H3/t16-,17+,18?/m1/s1
InChIKeyHCHWOTZHIOZTET-DVKDBIPTSA-N
XLogP4.53
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.73
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]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 (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate (CID 57270456) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate is CN(C(=O)CC(O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate?
The InChIKey is HCHWOTZHIOZTET-DVKDBIPTSA-N. The full InChI is InChI=1S/C24H46N2O7Si/c1-22(2,3)31-20(29)25(10)19(28)14-18(27)17-13-16(33-34(11,12)24(7,8)9)15-26(17)21(30)32-23(4,5)6/h16-18,27H,13-15H2,1-12H3/t16-,17+,18?/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate has a molecular weight of 502.73 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 57270456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).