methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C20H20N2O4 — CID 41118744

IUPACmethyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H20N2O4/c1-26-20(25)16-9-5-6-10-17(16)21-19(24)15-11-18(23)22(13-15)12-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyISIMOFNEYVOADR-HNNXBMFYSA-N
MW352.39 g/mol
LogP2.46
Rot. Bonds5

About methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate

methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 41118744) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID41118744
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H20N2O4/c1-26-20(25)16-9-5-6-10-17(16)21-19(24)15-11-18(23)22(13-15)12-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyISIMOFNEYVOADR-HNNXBMFYSA-N
XLogP2.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113185364
methyl 2-[[1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183235
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 5223111
[2-(2-methoxycarbonylanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 1180424
methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183484
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528
1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 41118744) is methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is ISIMOFNEYVOADR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-26-20(25)16-9-5-6-10-17(16)21-19(24)15-11-18(23)22(13-15)12-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 352.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 41118744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).