methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate

C16H22N2O3 — CID 62025965

IUPACmethyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H22N2O3/c1-11-6-4-7-13(12(11)2)17-15(19)10-18-9-5-8-14(18)16(20)21-3/h4,6-7,14H,5,8-10H2,1-3H3,(H,17,19)
InChIKeyHIBPNXOPGYLAQB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.88
Rot. Bonds4

About methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 62025965) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID62025965
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C16H22N2O3/c1-11-6-4-7-13(12(11)2)17-15(19)10-18-9-5-8-14(18)16(20)21-3/h4,6-7,14H,5,8-10H2,1-3H3,(H,17,19)
InChIKeyHIBPNXOPGYLAQB-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate 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-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441823
methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025955
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 11930966
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
N-(2,3-dimethylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446369
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250351
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027861
N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125474
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 60597140
2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8833543

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 62025965) is methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CC(=O)Nc1cccc(C)c1C.
What is the InChIKey of methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is HIBPNXOPGYLAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-4-7-13(12(11)2)17-15(19)10-18-9-5-8-14(18)16(20)21-3/h4,6-7,14H,5,8-10H2,1-3H3,(H,17,19).
What are the key properties of methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62025965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).