dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate

C20H21NO5 — CID 22215050

IUPACdibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
SMILESO=C(OCc1ccccc1)N1CCCC1(O)C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO5/c22-18(25-14-16-8-3-1-4-9-16)20(24)12-7-13-21(20)19(23)26-15-17-10-5-2-6-11-17/h1-6,8-11,24H,7,12-15H2
InChIKeyLFKPROLQDBQGIO-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.85
Rot. Bonds5

About dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate

dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate (PubChem CID 22215050) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
PubChem CID22215050
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namedibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
SMILESO=C(OCc1ccccc1)N1CCCC1(O)C(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO5/c22-18(25-14-16-8-3-1-4-9-16)20(24)12-7-13-21(20)19(23)26-15-17-10-5-2-6-11-17/h1-6,8-11,24H,7,12-15H2
InChIKeyLFKPROLQDBQGIO-UHFFFAOYSA-N
XLogP2.85
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate
CID 139654801
dibenzyl (2S)-2-carbonochloridoylpyrrolidine-1,2-dicarboxylate
CID 151279854
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
benzyl 2-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141321626
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126752953
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
benzyl 2-acetyl-2-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 23316670
1-O-benzyl 2-O-methyl 2-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 10709551
benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate
CID 125421522

Frequently Asked Questions

What is the IUPAC name of dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate (CID 22215050) is dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate is O=C(OCc1ccccc1)N1CCCC1(O)C(=O)OCc1ccccc1.
What is the InChIKey of dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate?
The InChIKey is LFKPROLQDBQGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c22-18(25-14-16-8-3-1-4-9-16)20(24)12-7-13-21(20)19(23)26-15-17-10-5-2-6-11-17/h1-6,8-11,24H,7,12-15H2.
What are the key properties of dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate?
dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 22215050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).