methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate

C15H20N2O3 — CID 69360163

IUPACmethyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate
SMILESCCNc1cc(C(=O)OC)cc(N2CCCC2=O)c1C
InChIInChI=1S/C15H20N2O3/c1-4-16-12-8-11(15(19)20-3)9-13(10(12)2)17-7-5-6-14(17)18/h8-9,16H,4-7H2,1-3H3
InChIKeyHNZSRIIOBCDTLK-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.34
Rot. Bonds4

About methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate

methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 69360163) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID69360163
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate
SMILESCCNc1cc(C(=O)OC)cc(N2CCCC2=O)c1C
InChIInChI=1S/C15H20N2O3/c1-4-16-12-8-11(15(19)20-3)9-13(10(12)2)17-7-5-6-14(17)18/h8-9,16H,4-7H2,1-3H3
InChIKeyHNZSRIIOBCDTLK-UHFFFAOYSA-N
XLogP2.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate
CID 69359615
methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
CID 53419638
methyl 2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylate
CID 116993329
methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate
CID 69358703
methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate
CID 69360235
ethyl 5-amino-2-(2-oxopyrrolidin-1-yl)benzoate
CID 57245785
[3-methoxycarbonyl-4-(2-oxopyrrolidin-1-yl)phenyl]boronic acid
CID 131865470
methyl 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 92686187
dimethyl 4,6-dimethyl-3-(2-oxopyrrolidin-1-yl)benzene-1,2-dicarboxylate
CID 56599713
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate
CID 38011110
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate (CID 69360163) is methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate is CCNc1cc(C(=O)OC)cc(N2CCCC2=O)c1C.
What is the InChIKey of methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is HNZSRIIOBCDTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-16-12-8-11(15(19)20-3)9-13(10(12)2)17-7-5-6-14(17)18/h8-9,16H,4-7H2,1-3H3.
What are the key properties of methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate?
methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 276.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 69360163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).