1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate

C20H37NO5Si — CID 51351576

IUPAC1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate
SMILESC=CCC1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)OC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO5Si/c1-11-12-14-16(26-27(9,10)20(5,6)7)13-15(17(22)24-8)21(14)18(23)25-19(2,3)4/h11,14-16H,1,12-13H2,2-10H3/t14?,15-,16+/m0/s1
InChIKeyDPPKKOMBOLOLSZ-MERJSTESSA-N
MW399.60 g/mol
LogP4.50
Rot. Bonds5

About 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate (PubChem CID 51351576) has the molecular formula C20H37NO5Si and a molecular weight of 399.60 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate
PubChem CID51351576
Molecular FormulaC20H37NO5Si
Molecular Weight399.60 g/mol
Exact Mass399.24
IUPAC Name1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate
SMILESC=CCC1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)OC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO5Si/c1-11-12-14-16(26-27(9,10)20(5,6)7)13-15(17(22)24-8)21(14)18(23)25-19(2,3)4/h11,14-16H,1,12-13H2,2-10H3/t14?,15-,16+/m0/s1
InChIKeyDPPKKOMBOLOLSZ-MERJSTESSA-N
XLogP4.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate 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 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate (CID 51351576) is 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate is C=CCC1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)OC)N1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate?
The InChIKey is DPPKKOMBOLOLSZ-MERJSTESSA-N. The full InChI is InChI=1S/C20H37NO5Si/c1-11-12-14-16(26-27(9,10)20(5,6)7)13-15(17(22)24-8)21(14)18(23)25-19(2,3)4/h11,14-16H,1,12-13H2,2-10H3/t14?,15-,16+/m0/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate has a molecular weight of 399.60 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 51351576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).