methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate

C17H20N2O4 — CID 113189120

IUPACmethyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CC(C(=O)N2CCCC2)CC1=O
InChIInChI=1S/C17H20N2O4/c1-23-17(22)13-6-2-3-7-14(13)19-11-12(10-15(19)20)16(21)18-8-4-5-9-18/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeySKQCTGUPBFBQFK-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.45
Rot. Bonds3

About methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate

methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate (PubChem CID 113189120) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate
PubChem CID113189120
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namemethyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CC(C(=O)N2CCCC2)CC1=O
InChIInChI=1S/C17H20N2O4/c1-23-17(22)13-6-2-3-7-14(13)19-11-12(10-15(19)20)16(21)18-8-4-5-9-18/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeySKQCTGUPBFBQFK-UHFFFAOYSA-N
XLogP1.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 735284
methyl 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113189155
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
methyl 2-[4-(cyclopropylcarbamoyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113189115
ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113191614
methyl 2-[4-[(4-acetamidophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189225
(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615751
(4S)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615752
methyl 2-[4-[(4-methoxycarbonylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189228
methyl 2-[4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108765536
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
methyl 2-[4-[(3,5-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189187

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate?
The IUPAC name of methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate (CID 113189120) is methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate?
The canonical SMILES for methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate is COC(=O)c1ccccc1N1CC(C(=O)N2CCCC2)CC1=O.
What is the InChIKey of methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate?
The InChIKey is SKQCTGUPBFBQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-23-17(22)13-6-2-3-7-14(13)19-11-12(10-15(19)20)16(21)18-8-4-5-9-18/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate?
methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate has a molecular weight of 316.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]benzoate is sourced from PubChem (CID 113189120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).