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

C18H35NO6Si — CID 46187117

IUPACtert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C18H35NO6Si/c1-17(2,3)24-16(23)19-12(9-10-14(19)22)15(13(21)11-20)25-26(7,8)18(4,5)6/h12-13,15,20-21H,9-11H2,1-8H3/t12-,13-,15+/m1/s1
InChIKeyVHMJMHBUDVTKGD-NFAWXSAZSA-N
MW389.57 g/mol
LogP2.66
Rot. Bonds5

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

tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 46187117) has the molecular formula C18H35NO6Si and a molecular weight of 389.57 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID46187117
Molecular FormulaC18H35NO6Si
Molecular Weight389.57 g/mol
Exact Mass389.22
IUPAC Nametert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C18H35NO6Si/c1-17(2,3)24-16(23)19-12(9-10-14(19)22)15(13(21)11-20)25-26(7,8)18(4,5)6/h12-13,15,20-21H,9-11H2,1-8H3/t12-,13-,15+/m1/s1
InChIKeyVHMJMHBUDVTKGD-NFAWXSAZSA-N
XLogP2.66
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10741255
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-3-ethoxy-1-hydroxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10645646
(2S,4R)-1-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-[(R)-1-hydroxy-2-(methoxycarbonyl)ethyl]pyrrolidine
CID 10862338
(2S,4R)-4-tert-butyldimethylsiloxy-N-tert-butoxycarbonyl-2-[(1S)-2-methoxycarbonyl-1-hydroxyethyl]pyrrolidine
CID 22864981
(2S,4R)-N-tert-Butoxycarbonyl-4-tert-butyldimethylsiloxy-2-[1-hydroxy-2-(methoxycarbonyl)ethyl]pyrrolidine
CID 57107882
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 57154494
(2S,4R)-N-tert-Butoxycarbonyl-2-[2-(N-tert-butoxycarbonyl-N-methylcarbamoyl)-1-hydroxyethyl]-4-tert-butyldimethylsiloxypyrrolidine
CID 57270456
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxy-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 67885532
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxy-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 67885576
3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 67885608
3-((2R,4R)-1-(tert-butoxycarbonyl)-4-{[tert-butyl(dimethyl)silyl]oxy}-pyrrolidin-2-yl)propanoic acid
CID 69036723
3-[4-[Tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 69037416

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate (CID 46187117) is tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO.
What is the InChIKey of tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is VHMJMHBUDVTKGD-NFAWXSAZSA-N. The full InChI is InChI=1S/C18H35NO6Si/c1-17(2,3)24-16(23)19-12(9-10-14(19)22)15(13(21)11-20)25-26(7,8)18(4,5)6/h12-13,15,20-21H,9-11H2,1-8H3/t12-,13-,15+/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 389.57 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 46187117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).