methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate

C16H22N2O3 — CID 69358703

IUPACmethyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOC(=O)c1cc(NCC(C)C)cc(N2CCCC2=O)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)10-17-13-7-12(16(20)21-3)8-14(9-13)18-6-4-5-15(18)19/h7-9,11,17H,4-6,10H2,1-3H3
InChIKeyDXIYOKCUIGBYIR-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.67
Rot. Bonds5

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

methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 69358703) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID69358703
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOC(=O)c1cc(NCC(C)C)cc(N2CCCC2=O)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)10-17-13-7-12(16(20)21-3)8-14(9-13)18-6-4-5-15(18)19/h7-9,11,17H,4-6,10H2,1-3H3
InChIKeyDXIYOKCUIGBYIR-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
methyl 3-(2-oxopyrrolidin-1-yl)-5-(phenylmethoxycarbonylamino)benzoate
CID 67438703
3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22253004
methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate
CID 69360235
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727172
N-[4-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
CID 75030068
methyl 4-(2-methylpropylamino)benzoate
CID 12045610
dimethyl 5-[[3-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26268468
methyl 3-cyclohex-3-en-1-yl-5-(2-oxopyrrolidin-1-yl)benzoate
CID 69357337
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727903

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate (CID 69358703) is methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate is COC(=O)c1cc(NCC(C)C)cc(N2CCCC2=O)c1.
What is the InChIKey of methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is DXIYOKCUIGBYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)10-17-13-7-12(16(20)21-3)8-14(9-13)18-6-4-5-15(18)19/h7-9,11,17H,4-6,10H2,1-3H3.
What are the key properties of methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate?
methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 69358703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).