dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate

C20H19NO5 — CID 11624525

IUPACdibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
SMILESO=C1C[C@@H](C(=O)OCc2ccccc2)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H19NO5/c22-17-11-18(19(23)25-13-15-7-3-1-4-8-15)21(12-17)20(24)26-14-16-9-5-2-6-10-16/h1-10,18H,11-14H2/t18-/m0/s1
InChIKeyOVYDXOQNKHZEDW-SFHVURJKSA-N
MW353.37 g/mol
LogP2.71
Rot. Bonds5

About dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate

dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 11624525) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
PubChem CID11624525
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namedibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
SMILESO=C1C[C@@H](C(=O)OCc2ccccc2)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H19NO5/c22-17-11-18(19(23)25-13-15-7-3-1-4-8-15)21(12-17)20(24)26-14-16-9-5-2-6-10-16/h1-10,18H,11-14H2/t18-/m0/s1
InChIKeyOVYDXOQNKHZEDW-SFHVURJKSA-N
XLogP2.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzyloxycarbonyl-L-proline
CID 101987
Carbobenzyloxyglycylglycyl-L-proline benzyl ester
CID 297813
1-benzyl hydrogen (R)-pyrrolidine-1,2-dicarboxylate
CID 111208
(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid (R)-1,3-diphenyl-propyl ester
CID 9824296
(+)-Benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46866293
N-(Carbobenzyloxy)-DL-proline
CID 232388
N-Carbobenzoxy-L-proline-1,2-dibromoethyl ester
CID 21125184
1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
CID 391517
2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
N-Carbobenzyloxy-4-keto-L-proline
CID 11076282

Frequently Asked Questions

What is the IUPAC name of dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate (CID 11624525) is dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate is O=C1C[C@@H](C(=O)OCc2ccccc2)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is OVYDXOQNKHZEDW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19NO5/c22-17-11-18(19(23)25-13-15-7-3-1-4-8-15)21(12-17)20(24)26-14-16-9-5-2-6-10-16/h1-10,18H,11-14H2/t18-/m0/s1.
What are the key properties of dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate?
dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 353.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11624525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).