methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate

C14H20N2O2 — CID 62975666

IUPACmethyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(Nc2cccc(C)c2)CCN(C)C1
InChIInChI=1S/C14H20N2O2/c1-11-5-4-6-12(9-11)15-14(13(17)18-3)7-8-16(2)10-14/h4-6,9,15H,7-8,10H2,1-3H3
InChIKeyFAOUKPMHXIUVCY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds3

About methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate

methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate (PubChem CID 62975666) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate
PubChem CID62975666
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(Nc2cccc(C)c2)CCN(C)C1
InChIInChI=1S/C14H20N2O2/c1-11-5-4-6-12(9-11)15-14(13(17)18-3)7-8-16(2)10-14/h4-6,9,15H,7-8,10H2,1-3H3
InChIKeyFAOUKPMHXIUVCY-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-3-carboxylate
CID 79049796
methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 60994641
methyl 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 60994222
methyl 5,5-dimethyl-3-(3-methylanilino)thiane-3-carboxylate
CID 79947429
methyl 1-(3-methylanilino)-3-propan-2-ylcyclohexane-1-carboxylate
CID 107449378
methyl 3-cyclopropyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 64625236
1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid
CID 62975481
methyl 1-benzyl-5-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate
CID 112742902
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
CID 60993286
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
4-(3-methylanilino)-1-propylazepane-4-carboxylic acid
CID 65075650

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate (CID 62975666) is methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate is COC(=O)C1(Nc2cccc(C)c2)CCN(C)C1.
What is the InChIKey of methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate?
The InChIKey is FAOUKPMHXIUVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-5-4-6-12(9-11)15-14(13(17)18-3)7-8-16(2)10-14/h4-6,9,15H,7-8,10H2,1-3H3.
What are the key properties of methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate?
methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 62975666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).