tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate

C19H37NO5Si — CID 11003600

IUPACtert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](C(=O)C(C)(C)O[Si](C)(C)C)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO5Si/c1-13(16(22)19(5,6)25-26(7,8)9)15(21)14-11-10-12-20(14)17(23)24-18(2,3)4/h13-15,21H,10-12H2,1-9H3/t13-,14+,15-/m1/s1
InChIKeyTWRCUTSBVHPIMW-QLFBSQMISA-N
MW387.59 g/mol
LogP3.58
Rot. Bonds6

About tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate (PubChem CID 11003600) has the molecular formula C19H37NO5Si and a molecular weight of 387.59 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate
PubChem CID11003600
Molecular FormulaC19H37NO5Si
Molecular Weight387.59 g/mol
Exact Mass387.24
IUPAC Nametert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](C(=O)C(C)(C)O[Si](C)(C)C)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO5Si/c1-13(16(22)19(5,6)25-26(7,8)9)15(21)14-11-10-12-20(14)17(23)24-18(2,3)4/h13-15,21H,10-12H2,1-9H3/t13-,14+,15-/m1/s1
InChIKeyTWRCUTSBVHPIMW-QLFBSQMISA-N
XLogP3.58
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S)-3-[(R)-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-hydroxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 11249307
tert-butyl 3-[[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-hydroxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 53845368
tert-butyl 3-[[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-hydroxymethyl]-2-oxopiperidine-1-carboxylate
CID 53917501
tert-butyl 3-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-hydroxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 57126078
tert-butyl 3-[[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-hydroxymethyl]-2-oxopiperidine-1-carboxylate
CID 57198885
tert-butyl (2R,3R,5R)-5-acetyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-hydroxy-3-methylbutyl)pyrrolidine-1-carboxylate
CID 60128302
(2R)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-methyl-4-tri(propan-2-yl)silyloxybutyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid
CID 67625238
2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid
CID 67625962
4-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]butanoic acid
CID 67921364
Tert-butyl 3-[[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-hydroxymethyl]-2-oxopiperidine-1-carboxylate
CID 70194583
tert-butyl 3-[[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-hydroxymethyl]-2-oxopiperidine-1-carboxylate
CID 70194584
(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate (CID 11003600) is tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate is C[C@@H](C(=O)C(C)(C)O[Si](C)(C)C)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate?
The InChIKey is TWRCUTSBVHPIMW-QLFBSQMISA-N. The full InChI is InChI=1S/C19H37NO5Si/c1-13(16(22)19(5,6)25-26(7,8)9)15(21)14-11-10-12-20(14)17(23)24-18(2,3)4/h13-15,21H,10-12H2,1-9H3/t13-,14+,15-/m1/s1.
What are the key properties of tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate has a molecular weight of 387.59 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11003600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).