2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid

C16H25NO2 — CID 62272164

IUPAC2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
SMILESCCCC(C)(CN(C)c1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-6-9-16(4,15(18)19)11-17(5)14-8-7-12(2)10-13(14)3/h7-8,10H,6,9,11H2,1-5H3,(H,18,19)
InChIKeyJMJMFWAUFFKQRN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.63
Rot. Bonds6

About 2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid

2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid (PubChem CID 62272164) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
PubChem CID62272164
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
SMILESCCCC(C)(CN(C)c1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-6-9-16(4,15(18)19)11-17(5)14-8-7-12(2)10-13(14)3/h7-8,10H,6,9,11H2,1-5H3,(H,18,19)
InChIKeyJMJMFWAUFFKQRN-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
CID 114988793
N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62260646
2-[2,2-dimethylpropyl(methyl)amino]-5-methylbenzoic acid
CID 62516741
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452350
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452564
4-[2,2-dimethylpropyl(methyl)amino]-3-methylbenzoic acid
CID 62122006
4-[(2-hydroxy-2-methylpropyl)-methylamino]-3-methylbenzoic acid
CID 79379105
2-[(3,4-dimethylphenyl)methyl]-2-methylpentanoic acid
CID 62739730
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
1-(N,2,4-trimethylanilino)pentan-2-ol
CID 62041498
2-(N-ethylsulfonyl-2,4-dimethylanilino)propanoic acid
CID 50891733
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylpentanoic acid
CID 62272699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid?
The IUPAC name of 2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid (CID 62272164) is 2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid is CCCC(C)(CN(C)c1ccc(C)cc1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid?
The InChIKey is JMJMFWAUFFKQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-9-16(4,15(18)19)11-17(5)14-8-7-12(2)10-13(14)3/h7-8,10H,6,9,11H2,1-5H3,(H,18,19).
What are the key properties of 2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid?
2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.63, 6 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)methyl]pentanoic acid is sourced from PubChem (CID 62272164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).