[2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate

C16H20N2O4 — CID 2388907

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C16H20N2O4/c1-2-18(10-12-6-4-3-5-7-12)15(20)11-22-16(21)13-8-9-14(19)17-13/h3-7,13H,2,8-11H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyUOJAHHZTHOANCQ-CYBMUJFWSA-N
MW304.35 g/mol
LogP0.86
Rot. Bonds6

About [2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate

[2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate (PubChem CID 2388907) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
PubChem CID2388907
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C16H20N2O4/c1-2-18(10-12-6-4-3-5-7-12)15(20)11-22-16(21)13-8-9-14(19)17-13/h3-7,13H,2,8-11H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyUOJAHHZTHOANCQ-CYBMUJFWSA-N
XLogP0.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 104859504
4-phenylbutyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 57351422
[2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46695717
ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 66848985
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 71822913
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 18073894
(4-oxo-4-phenylmethoxybutyl) 5-oxopyrrolidine-2-carboxylate
CID 126720960
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789921
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085391

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate (CID 2388907) is [2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate is CCN(Cc1ccccc1)C(=O)COC(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is UOJAHHZTHOANCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-18(10-12-6-4-3-5-7-12)15(20)11-22-16(21)13-8-9-14(19)17-13/h3-7,13H,2,8-11H2,1H3,(H,17,19)/t13-/m1/s1.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 2388907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).