methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate

C15H20N2O3 — CID 47377138

IUPACmethyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate
SMILESCNC(=O)C1CCCN1Cc1cccc(C(=O)OC)c1
InChIInChI=1S/C15H20N2O3/c1-16-14(18)13-7-4-8-17(13)10-11-5-3-6-12(9-11)15(19)20-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyBZHXVFJBOOAYFH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.18
Rot. Bonds4

About methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate

methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate (PubChem CID 47377138) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate
PubChem CID47377138
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate
SMILESCNC(=O)C1CCCN1Cc1cccc(C(=O)OC)c1
InChIInChI=1S/C15H20N2O3/c1-16-14(18)13-7-4-8-17(13)10-11-5-3-6-12(9-11)15(19)20-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyBZHXVFJBOOAYFH-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate (CID 47377138) is methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate is CNC(=O)C1CCCN1Cc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate?
The InChIKey is BZHXVFJBOOAYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16-14(18)13-7-4-8-17(13)10-11-5-3-6-12(9-11)15(19)20-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate?
methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate is sourced from PubChem (CID 47377138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).