(2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C12H14N2O2 — CID 171323293

IUPAC(2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccccc1N1C(=O)CC[C@H]1C(N)=O
InChIInChI=1S/C12H14N2O2/c1-8-4-2-3-5-9(8)14-10(12(13)16)6-7-11(14)15/h2-5,10H,6-7H2,1H3,(H2,13,16)/t10-/m0/s1
InChIKeyNRQRGWUKZYIDML-JTQLQIEISA-N
MW218.26 g/mol
LogP0.98
Rot. Bonds2

About (2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 171323293) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID171323293
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccccc1N1C(=O)CC[C@H]1C(N)=O
InChIInChI=1S/C12H14N2O2/c1-8-4-2-3-5-9(8)14-10(12(13)16)6-7-11(14)15/h2-5,10H,6-7H2,1H3,(H2,13,16)/t10-/m0/s1
InChIKeyNRQRGWUKZYIDML-JTQLQIEISA-N
XLogP0.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 118705031
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
(2S)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 54336988
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 117003708
ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate
CID 15142030
1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylic acid
CID 121209164
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 121229069
1-(2-methylphenyl)azetidine-2-carboxylate
CID 170453397
3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione
CID 116658407
3-acetyl-1-(2-methylphenyl)imidazolidine-2,4-dione
CID 154168630
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517
(2S)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxycyclohexyl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 142754626

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 171323293) is (2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccccc1N1C(=O)CC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NRQRGWUKZYIDML-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-4-2-3-5-9(8)14-10(12(13)16)6-7-11(14)15/h2-5,10H,6-7H2,1H3,(H2,13,16)/t10-/m0/s1.
What are the key properties of (2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 171323293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).