2-methyl-2-(N,2,4-trimethylanilino)propanoic acid

C13H19NO2 — CID 114988793

IUPAC2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
SMILESCc1ccc(N(C)C(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C13H19NO2/c1-9-6-7-11(10(2)8-9)14(5)13(3,4)12(15)16/h6-8H,1-5H3,(H,15,16)
InChIKeyFFMDPEUFECBEFR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.60
Rot. Bonds3

About 2-methyl-2-(N,2,4-trimethylanilino)propanoic acid

2-methyl-2-(N,2,4-trimethylanilino)propanoic acid (PubChem CID 114988793) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-2-(N,2,4-trimethylanilino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
PubChem CID114988793
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
SMILESCc1ccc(N(C)C(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C13H19NO2/c1-9-6-7-11(10(2)8-9)14(5)13(3,4)12(15)16/h6-8H,1-5H3,(H,15,16)
InChIKeyFFMDPEUFECBEFR-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
CID 115128341
2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol
CID 115133229
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
CID 62272164
(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497
2-[1-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060736
2-(2,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127855
N-(2,4-dimethylphenyl)-N-phenylacetamide
CID 10537956
2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128131
2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid
CID 55182543
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
3-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzoic acid
CID 63983852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(N,2,4-trimethylanilino)propanoic acid?
The IUPAC name of 2-methyl-2-(N,2,4-trimethylanilino)propanoic acid (CID 114988793) is 2-methyl-2-(N,2,4-trimethylanilino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(N,2,4-trimethylanilino)propanoic acid?
The canonical SMILES for 2-methyl-2-(N,2,4-trimethylanilino)propanoic acid is Cc1ccc(N(C)C(C)(C)C(=O)O)c(C)c1.
What is the InChIKey of 2-methyl-2-(N,2,4-trimethylanilino)propanoic acid?
The InChIKey is FFMDPEUFECBEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-7-11(10(2)8-9)14(5)13(3,4)12(15)16/h6-8H,1-5H3,(H,15,16).
What are the key properties of 2-methyl-2-(N,2,4-trimethylanilino)propanoic acid?
2-methyl-2-(N,2,4-trimethylanilino)propanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(N,2,4-trimethylanilino)propanoic acid is sourced from PubChem (CID 114988793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).