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

C18H33NO5Si — CID 172520808

IUPAC1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate
SMILESC=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO5Si/c1-12-14(24-25(9,10)18(5,6)7)11-13(15(20)22-8)19(12)16(21)23-17(2,3)4/h13-14H,1,11H2,2-10H3/t13-,14+/m1/s1
InChIKeyKCRSTALDHBKERJ-KGLIPLIRSA-N
MW371.55 g/mol
LogP4.07
Rot. Bonds3

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

1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate (PubChem CID 172520808) has the molecular formula C18H33NO5Si and a molecular weight of 371.55 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate
PubChem CID172520808
Molecular FormulaC18H33NO5Si
Molecular Weight371.55 g/mol
Exact Mass371.21
IUPAC Name1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate
SMILESC=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO5Si/c1-12-14(24-25(9,10)18(5,6)7)11-13(15(20)22-8)19(12)16(21)23-17(2,3)4/h13-14H,1,11H2,2-10H3/t13-,14+/m1/s1
InChIKeyKCRSTALDHBKERJ-KGLIPLIRSA-N
XLogP4.07
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate (CID 172520808) is 1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate is C=C1[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 (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate?
The InChIKey is KCRSTALDHBKERJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H33NO5Si/c1-12-14(24-25(9,10)18(5,6)7)11-13(15(20)22-8)19(12)16(21)23-17(2,3)4/h13-14H,1,11H2,2-10H3/t13-,14+/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate has a molecular weight of 371.55 g/mol, XLogP of 4.07, 3 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 (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylidenepyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 172520808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).