(2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

C16H22N2O2 — CID 67461792

IUPAC(2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1cccc(C)c1C
InChIInChI=1S/C16H22N2O2/c1-4-18-14(8-9-15(18)19)16(20)17-10-13-7-5-6-11(2)12(13)3/h5-7,14H,4,8-10H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyANIFLONOGSTYCB-AWEZNQCLSA-N
MW274.36 g/mol
LogP1.93
Rot. Bonds4

About (2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 67461792) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID67461792
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1cccc(C)c1C
InChIInChI=1S/C16H22N2O2/c1-4-18-14(8-9-15(18)19)16(20)17-10-13-7-5-6-11(2)12(13)3/h5-7,14H,4,8-10H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyANIFLONOGSTYCB-AWEZNQCLSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 9906804
Cypromin
CID 90993
(3S,6S,10aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
CID 24754886
1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide
CID 4369343
N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
Rolicyprine
CID 60196287
(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 6918762
Smac peptido-mimetic 6h
CID 11176734
Smac peptido-mimetic 1
CID 11200722
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11317764
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754
(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 11395933

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (CID 67461792) is (2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CC[C@H]1C(=O)NCc1cccc(C)c1C.
What is the InChIKey of (2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ANIFLONOGSTYCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-18-14(8-9-15(18)19)16(20)17-10-13-7-5-6-11(2)12(13)3/h5-7,14H,4,8-10H2,1-3H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67461792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).