tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate

C19H37NO4Si — CID 58055032

IUPACtert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@]1(OC)CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H37NO4Si/c1-11-12-19(22-8)14-20(16(21)23-17(2,3)4)13-15(19)24-25(9,10)18(5,6)7/h11,15H,1,12-14H2,2-10H3/t15-,19+/m0/s1
InChIKeyNOPFTANOGVMXFA-HNAYVOBHSA-N
MW371.59 g/mol
LogP4.59
Rot. Bonds5

About tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 58055032) has the molecular formula C19H37NO4Si and a molecular weight of 371.59 g/mol. Its IUPAC name is tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID58055032
Molecular FormulaC19H37NO4Si
Molecular Weight371.59 g/mol
Exact Mass371.25
IUPAC Nametert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@]1(OC)CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H37NO4Si/c1-11-12-19(22-8)14-20(16(21)23-17(2,3)4)13-15(19)24-25(9,10)18(5,6)7/h11,15H,1,12-14H2,2-10H3/t15-,19+/m0/s1
InChIKeyNOPFTANOGVMXFA-HNAYVOBHSA-N
XLogP4.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.59
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate (CID 58055032) is tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@@]1(OC)CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is NOPFTANOGVMXFA-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H37NO4Si/c1-11-12-19(22-8)14-20(16(21)23-17(2,3)4)13-15(19)24-25(9,10)18(5,6)7/h11,15H,1,12-14H2,2-10H3/t15-,19+/m0/s1.
What are the key properties of tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 371.59 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 58055032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).