tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate

C18H37NO5Si — CID 67885392

IUPACtert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1[C@@H](O)CCO
InChIInChI=1S/C18H37NO5Si/c1-17(2,3)23-16(22)19-12-13(11-14(19)15(21)9-10-20)24-25(7,8)18(4,5)6/h13-15,20-21H,9-12H2,1-8H3/t13?,14?,15-/m0/s1
InChIKeyALHMVCMAWBJKAF-NRXISQOPSA-N
MW375.58 g/mol
LogP3.13
Rot. Bonds5

About tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate

tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate (PubChem CID 67885392) has the molecular formula C18H37NO5Si and a molecular weight of 375.58 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate
PubChem CID67885392
Molecular FormulaC18H37NO5Si
Molecular Weight375.58 g/mol
Exact Mass375.24
IUPAC Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1[C@@H](O)CCO
InChIInChI=1S/C18H37NO5Si/c1-17(2,3)23-16(22)19-12-13(11-14(19)15(21)9-10-20)24-25(7,8)18(4,5)6/h13-15,20-21H,9-12H2,1-8H3/t13?,14?,15-/m0/s1
InChIKeyALHMVCMAWBJKAF-NRXISQOPSA-N
XLogP3.13
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.58
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,4R)-2-[(1S)-3-amino-1-hydroxypropyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 10690844
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 70276625
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10862338
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-ethoxy-1-hydroxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10669664
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
(2R,3R)-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 90091054
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 85290251
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxy-3-nitropropyl]pyrrolidine-1-carboxylate
CID 10573304
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-hydroxy-2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]pyrrolidine-1-carboxylate
CID 10768778
azane;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 160879696
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethylazetidin-3-yl)pyrrolidine-1-carboxylate
CID 18657890

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate (CID 67885392) is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1[C@@H](O)CCO.
What is the InChIKey of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate?
The InChIKey is ALHMVCMAWBJKAF-NRXISQOPSA-N. The full InChI is InChI=1S/C18H37NO5Si/c1-17(2,3)23-16(22)19-12-13(11-14(19)15(21)9-10-20)24-25(7,8)18(4,5)6/h13-15,20-21H,9-12H2,1-8H3/t13?,14?,15-/m0/s1.
What are the key properties of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate?
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate has a molecular weight of 375.58 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67885392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).