tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate

C25H48N2O5Si — CID 10528887

IUPACtert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H48N2O5Si/c1-23(2,3)30-21(28)26-14-12-18(13-15-26)20-16-19(32-33(10,11)25(7,8)9)17-27(20)22(29)31-24(4,5)6/h18-20H,12-17H2,1-11H3/t19-,20+/m1/s1
InChIKeyRPNUBJBYUASWKM-UXHICEINSA-N
MW484.75 g/mol
LogP6.03
Rot. Bonds3

About tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate (PubChem CID 10528887) has the molecular formula C25H48N2O5Si and a molecular weight of 484.75 g/mol. Its IUPAC name is tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate
PubChem CID10528887
Molecular FormulaC25H48N2O5Si
Molecular Weight484.75 g/mol
Exact Mass484.33
IUPAC Nametert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H48N2O5Si/c1-23(2,3)30-21(28)26-14-12-18(13-15-26)20-16-19(32-33(10,11)25(7,8)9)17-27(20)22(29)31-24(4,5)6/h18-20H,12-17H2,1-11H3/t19-,20+/m1/s1
InChIKeyRPNUBJBYUASWKM-UXHICEINSA-N
XLogP6.03
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.75
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-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 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate (CID 10528887) is tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate?
The InChIKey is RPNUBJBYUASWKM-UXHICEINSA-N. The full InChI is InChI=1S/C25H48N2O5Si/c1-23(2,3)30-21(28)26-14-12-18(13-15-26)20-16-19(32-33(10,11)25(7,8)9)17-27(20)22(29)31-24(4,5)6/h18-20H,12-17H2,1-11H3/t19-,20+/m1/s1.
What are the key properties of tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate has a molecular weight of 484.75 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 10528887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).