tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate

C19H37NO4Si — CID 11068690

IUPACtert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)[Si](OC[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H37NO4Si/c1-13(2)25(14(3)4,15(5)6)23-12-16-10-11-17(21)20(16)18(22)24-19(7,8)9/h13-16H,10-12H2,1-9H3/t16-/m0/s1
InChIKeyXKTCLJBFSUKVFT-INIZCTEOSA-N
MW371.59 g/mol
LogP5.10
Rot. Bonds6

About tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate

tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate (PubChem CID 11068690) has the molecular formula C19H37NO4Si and a molecular weight of 371.59 g/mol. Its IUPAC name is tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate
PubChem CID11068690
Molecular FormulaC19H37NO4Si
Molecular Weight371.59 g/mol
Exact Mass371.25
IUPAC Nametert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)[Si](OC[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H37NO4Si/c1-13(2)25(14(3)4,15(5)6)23-12-16-10-11-17(21)20(16)18(22)24-19(7,8)9/h13-16H,10-12H2,1-9H3/t16-/m0/s1
InChIKeyXKTCLJBFSUKVFT-INIZCTEOSA-N
XLogP5.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.59
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate (CID 11068690) is tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate is CC(C)[Si](OC[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is XKTCLJBFSUKVFT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H37NO4Si/c1-13(2)25(14(3)4,15(5)6)23-12-16-10-11-17(21)20(16)18(22)24-19(7,8)9/h13-16H,10-12H2,1-9H3/t16-/m0/s1.
What are the key properties of tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate?
tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 371.59 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11068690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).