tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate

C29H31NO5 — CID 15280240

IUPACtert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](O)C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NO5/c1-28(2,3)35-27(33)30-24(19-25(31)26(30)32)20-34-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25,31H,19-20H2,1-3H3/t24-,25+/m0/s1
InChIKeyZPIKMMPTAIUMLY-LOSJGSFVSA-N
MW473.57 g/mol
LogP4.89
Rot. Bonds6

About tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate

tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 15280240) has the molecular formula C29H31NO5 and a molecular weight of 473.57 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
PubChem CID15280240
Molecular FormulaC29H31NO5
Molecular Weight473.57 g/mol
Exact Mass473.22
IUPAC Nametert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](O)C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NO5/c1-28(2,3)35-27(33)30-24(19-25(31)26(30)32)20-34-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25,31H,19-20H2,1-3H3/t24-,25+/m0/s1
InChIKeyZPIKMMPTAIUMLY-LOSJGSFVSA-N
XLogP4.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Lansimide 3
CID 85584195
(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
(3S,4R,5S)-3-hydroxy-5-[(R)-methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 127037987
(3S,4R,5S)-3-hydroxy-5-[(S)-methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 127040411
(3S,4S,5R)-3-hydroxy-5-[(R)-methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 127040412
(2S,4S)-4-(benzyloxy)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylic acid
CID 89677468
(2S,4R)-4-(benzyloxy)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylic acid
CID 89677779
tert-butyl (3R,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11005272
tert-butyl (4R)-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-dimethyl-1,3-oxazolidine-3-carboxylate
CID 122223738
tert-butyl (4S)-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-dimethyl-1,3-oxazolidine-3-carboxylate
CID 135062076
(5S)-1-[(E)-but-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 9979851
(4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893992

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate (CID 15280240) is tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H](O)C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is ZPIKMMPTAIUMLY-LOSJGSFVSA-N. The full InChI is InChI=1S/C29H31NO5/c1-28(2,3)35-27(33)30-24(19-25(31)26(30)32)20-34-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25,31H,19-20H2,1-3H3/t24-,25+/m0/s1.
What are the key properties of tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 473.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 15280240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).