1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate

C14H15NO5 — CID 11196673

IUPAC1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)C1CCC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15NO5/c1-19-13(17)11-7-8-12(16)15(11)14(18)20-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyMBOBZGBHABMDMC-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.49
Rot. Bonds3

About 1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate

1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 11196673) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID11196673
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)C1CCC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15NO5/c1-19-13(17)11-7-8-12(16)15(11)14(18)20-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyMBOBZGBHABMDMC-UHFFFAOYSA-N
XLogP1.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
1-O-benzyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 54546875
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766666
benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684653
dibenzyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;(2S)-5-oxopyrrolidine-2-carboxylic acid;iodide
CID 160811787
methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 56950772
benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126005827
1-O-benzyl 2-O-(4-nitrophenyl) 5-oxopyrrolidine-1,2-dicarboxylate
CID 12850937
dicyclohexylazanium;(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylate
CID 121230078
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
2-O-benzyl 1-O-tert-butyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 11759402

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate (CID 11196673) is 1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate is COC(=O)C1CCC(=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is MBOBZGBHABMDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-19-13(17)11-7-8-12(16)15(11)14(18)20-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of 1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate?
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 277.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11196673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).