tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate

C18H35NO5Si — CID 53253789

IUPACtert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-17(2,3)24-16(22)19-13(14(20)12-15(19)21)10-9-11-23-25(7,8)18(4,5)6/h13-14,20H,9-12H2,1-8H3/t13-,14+/m1/s1
InChIKeyVWVVWMKTOTZSCH-KGLIPLIRSA-N
MW373.57 g/mol
LogP3.69
Rot. Bonds5

About tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 53253789) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
PubChem CID53253789
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Nametert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@H]1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-17(2,3)24-16(22)19-13(14(20)12-15(19)21)10-9-11-23-25(7,8)18(4,5)6/h13-14,20H,9-12H2,1-8H3/t13-,14+/m1/s1
InChIKeyVWVVWMKTOTZSCH-KGLIPLIRSA-N
XLogP3.69
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypiperidine-1-carboxylate
CID 11845979
tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 72974214
tert-butyl (2R,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxypiperidine-1-carboxylate
CID 11845978
tert-butyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolidine-1-carboxylate
CID 162403149
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(113C)methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 10947872
tert-butyl (2S,3S,3aS,4S,6S,7aS)-3,3a-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-hydroxy-2-(hydroxymethyl)-6-methyl-3,4,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
CID 71531035
tert-butyl (1R,3S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate
CID 71122367
tert-butyl (1S,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 101491824
tert-butyl (2S,4R)-4-hydroxy-2-methyl-6-oxopiperidine-1-carboxylate
CID 102357347
tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 174029248
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
CID 66622874
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-5-oxopyrrolidine-1-carboxylate
CID 90345080

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate (CID 53253789) is tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@H]1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
The InChIKey is VWVVWMKTOTZSCH-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H35NO5Si/c1-17(2,3)24-16(22)19-13(14(20)12-15(19)21)10-9-11-23-25(7,8)18(4,5)6/h13-14,20H,9-12H2,1-8H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 373.57 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 53253789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).