methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate

C13H18N2O2 — CID 69333583

IUPACmethyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate
SMILESCOC(=O)c1ccc(N(C)C2CCCN2)cc1
InChIInChI=1S/C13H18N2O2/c1-15(12-4-3-9-14-12)11-7-5-10(6-8-11)13(16)17-2/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyAQUBEJDOUHRSEU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.62
Rot. Bonds3

About methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate

methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate (PubChem CID 69333583) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate
PubChem CID69333583
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate
SMILESCOC(=O)c1ccc(N(C)C2CCCN2)cc1
InChIInChI=1S/C13H18N2O2/c1-15(12-4-3-9-14-12)11-7-5-10(6-8-11)13(16)17-2/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyAQUBEJDOUHRSEU-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate?
The IUPAC name of methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate (CID 69333583) is methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate?
The canonical SMILES for methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate is COC(=O)c1ccc(N(C)C2CCCN2)cc1.
What is the InChIKey of methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate?
The InChIKey is AQUBEJDOUHRSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(12-4-3-9-14-12)11-7-5-10(6-8-11)13(16)17-2/h5-8,12,14H,3-4,9H2,1-2H3.
What are the key properties of methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate?
methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate has a molecular weight of 234.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(pyrrolidin-2-yl)amino]benzoate is sourced from PubChem (CID 69333583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).