(2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C15H20N2O2 — CID 67458140

IUPAC(2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1ccccc1C
InChIInChI=1S/C15H20N2O2/c1-3-17-13(8-9-14(17)18)15(19)16-10-12-7-5-4-6-11(12)2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyMTISYKINPHFBEC-ZDUSSCGKSA-N
MW260.34 g/mol
LogP1.62
Rot. Bonds4

About (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

(2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 67458140) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID67458140
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1ccccc1C
InChIInChI=1S/C15H20N2O2/c1-3-17-13(8-9-14(17)18)15(19)16-10-12-7-5-4-6-11(12)2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyMTISYKINPHFBEC-ZDUSSCGKSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide 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 (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 67458140) is (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CC[C@H]1C(=O)NCc1ccccc1C.
What is the InChIKey of (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MTISYKINPHFBEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-17-13(8-9-14(17)18)15(19)16-10-12-7-5-4-6-11(12)2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67458140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).