benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate

C18H27NO6Si — CID 135018976

IUPACbenzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(O[Si](C)(C)C)[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H27NO6Si/c1-18(2,25-26(3,4)5)15-13(20)14(21)16(22)19(15)17(23)24-11-12-9-7-6-8-10-12/h6-10,13-15,20-21H,11H2,1-5H3/t13-,14+,15-/m0/s1
InChIKeyMEQAVWYWHDSKNY-ZNMIVQPWSA-N
MW381.50 g/mol
LogP1.89
Rot. Bonds5

About benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate

benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate (PubChem CID 135018976) has the molecular formula C18H27NO6Si and a molecular weight of 381.50 g/mol. Its IUPAC name is benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
PubChem CID135018976
Molecular FormulaC18H27NO6Si
Molecular Weight381.50 g/mol
Exact Mass381.16
IUPAC Namebenzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(O[Si](C)(C)C)[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C18H27NO6Si/c1-18(2,25-26(3,4)5)15-13(20)14(21)16(22)19(15)17(23)24-11-12-9-7-6-8-10-12/h6-10,13-15,20-21H,11H2,1-5H3/t13-,14+,15-/m0/s1
InChIKeyMEQAVWYWHDSKNY-ZNMIVQPWSA-N
XLogP1.89
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.89
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

2-{1-[(Benzyloxy)carbonyl]pyrrolidin-2-yl}-2-hydroxyacetic acid
CID 10779036
O2-Benzyl O1-tert-butyl (2S,3R,4S)-3,4-dihydroxypyrrolidine-1,2-dicarboxylate
CID 58814955
(4R)-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363267
tert-butyl (4R,5R)-4-[(1R,2S)-2-fluoro-1-hydroxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 122223735
tert-butyl (4S,5S)-4-[(1R,2S)-2-fluoro-1-hydroxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 122223736
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 68284253
(2R,3S,4S)-4-fluoro-1-phenylmethoxycarbonyl-3-triethylsilyloxypyrrolidine-2-carboxylic acid
CID 142504278
(2S,4R)-1-Benzyloxycarbonyl-2-hydroxymethyl-4-t-butyldimethylsilyloxypyrrolidine
CID 15671482
benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11164423
(2S)-2-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enyl-1,3-oxazolidin-5-yl]-2-phenylmethoxyacetic acid
CID 11327197
(4S,5R)-3-[(2S)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 16080185
benzyl (2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-prop-2-enylpyrrolidine-1-carboxylate
CID 134831445

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate (CID 135018976) is benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate is CC(C)(O[Si](C)(C)C)[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is MEQAVWYWHDSKNY-ZNMIVQPWSA-N. The full InChI is InChI=1S/C18H27NO6Si/c1-18(2,25-26(3,4)5)15-13(20)14(21)16(22)19(15)17(23)24-11-12-9-7-6-8-10-12/h6-10,13-15,20-21H,11H2,1-5H3/t13-,14+,15-/m0/s1.
What are the key properties of benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 381.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 135018976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).