2-(4-cyano-N-methylanilino)-2-methylpropanoic acid

C12H14N2O2 — CID 62819086

IUPAC2-(4-cyano-N-methylanilino)-2-methylpropanoic acid
SMILESCN(c1ccc(C#N)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C12H14N2O2/c1-12(2,11(15)16)14(3)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,15,16)
InChIKeyIJZIJJQBXRLCGM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.86
Rot. Bonds3

About 2-(4-cyano-N-methylanilino)-2-methylpropanoic acid

2-(4-cyano-N-methylanilino)-2-methylpropanoic acid (PubChem CID 62819086) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(4-cyano-N-methylanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-cyano-N-methylanilino)-2-methylpropanoic acid
PubChem CID62819086
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(4-cyano-N-methylanilino)-2-methylpropanoic acid
SMILESCN(c1ccc(C#N)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C12H14N2O2/c1-12(2,11(15)16)14(3)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,15,16)
InChIKeyIJZIJJQBXRLCGM-UHFFFAOYSA-N
XLogP1.86
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429961
2-(4-cyano-N-methyl-2-nitroanilino)-2-methylpropanoic acid
CID 55123834
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
2-[3-(4-cyanophenyl)prop-2-enoyl-methylamino]-2-methylpropanoic acid
CID 76950005
4-[methyl(1,1,2,2,2-pentafluoroethyl)amino]benzonitrile
CID 118086708
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62822509
tert-butyl N-(N-amino-4-cyanoanilino)-N-methylcarbamate
CID 131970520
3-[[(4-cyanophenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175112
2-(4-cyanophenyl)-2-hydroxypropanoic acid
CID 11513906
2-(4-cyano-N-methylanilino)propanoic acid
CID 62638661
N-tert-butyl-N-(4-cyanophenyl)carbamate
CID 155885638
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-N-methylanilino)-2-methylpropanoic acid?
The IUPAC name of 2-(4-cyano-N-methylanilino)-2-methylpropanoic acid (CID 62819086) is 2-(4-cyano-N-methylanilino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-cyano-N-methylanilino)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-cyano-N-methylanilino)-2-methylpropanoic acid is CN(c1ccc(C#N)cc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-(4-cyano-N-methylanilino)-2-methylpropanoic acid?
The InChIKey is IJZIJJQBXRLCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,11(15)16)14(3)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,15,16).
What are the key properties of 2-(4-cyano-N-methylanilino)-2-methylpropanoic acid?
2-(4-cyano-N-methylanilino)-2-methylpropanoic acid has a molecular weight of 218.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-N-methylanilino)-2-methylpropanoic acid is sourced from PubChem (CID 62819086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).