tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate

C17H35NO3Si — CID 134880941

IUPACtert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate
SMILESCCC[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H35NO3Si/c1-10-11-13-14(12-20-22(8,9)17(5,6)7)18(13)15(19)21-16(2,3)4/h13-14H,10-12H2,1-9H3/t13-,14-,18?/m0/s1
InChIKeyTVDLGGNYJYLWGQ-QPKCZYJBSA-N
MW329.56 g/mol
LogP4.80
Rot. Bonds5

About tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate

tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate (PubChem CID 134880941) has the molecular formula C17H35NO3Si and a molecular weight of 329.56 g/mol. Its IUPAC name is tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate
PubChem CID134880941
Molecular FormulaC17H35NO3Si
Molecular Weight329.56 g/mol
Exact Mass329.24
IUPAC Nametert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate
SMILESCCC[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H35NO3Si/c1-10-11-13-14(12-20-22(8,9)17(5,6)7)18(13)15(19)21-16(2,3)4/h13-14H,10-12H2,1-9H3/t13-,14-,18?/m0/s1
InChIKeyTVDLGGNYJYLWGQ-QPKCZYJBSA-N
XLogP4.80
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate (CID 134880941) is tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate is CCC[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate?
The InChIKey is TVDLGGNYJYLWGQ-QPKCZYJBSA-N. The full InChI is InChI=1S/C17H35NO3Si/c1-10-11-13-14(12-20-22(8,9)17(5,6)7)18(13)15(19)21-16(2,3)4/h13-14H,10-12H2,1-9H3/t13-,14-,18?/m0/s1.
What are the key properties of tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate?
tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate has a molecular weight of 329.56 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propylaziridine-1-carboxylate is sourced from PubChem (CID 134880941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).