2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid

C15H23NO2 — CID 115249694

IUPAC2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid
SMILESCCC(CNc1c(C)c(C)cc(C)c1C)C(=O)O
InChIInChI=1S/C15H23NO2/c1-6-13(15(17)18)8-16-14-11(4)9(2)7-10(3)12(14)5/h7,13,16H,6,8H2,1-5H3,(H,17,18)
InChIKeyOTLKVIAJOFBAQI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.44
Rot. Bonds5

About 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid

2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid (PubChem CID 115249694) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid
PubChem CID115249694
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid
SMILESCCC(CNc1c(C)c(C)cc(C)c1C)C(=O)O
InChIInChI=1S/C15H23NO2/c1-6-13(15(17)18)8-16-14-11(4)9(2)7-10(3)12(14)5/h7,13,16H,6,8H2,1-5H3,(H,17,18)
InChIKeyOTLKVIAJOFBAQI-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic 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-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide
CID 115188725
3-methyl-4-(2,3,5,6-tetramethylanilino)butanoic acid
CID 115219701
3-amino-4-(2,3,5,6-tetramethylanilino)butanoic acid
CID 115241453
2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid
CID 65226929
CID 87086045
CID 87086045
CID 123134376
CID 123134376
2-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]butanoic acid
CID 115249755
(2,3,5,6-tetramethylphenyl)carbamic acid
CID 115170617
2-[(N,2,3,5,6-pentamethylanilino)methyl]butanoic acid
CID 115249810
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
CID 115121873
2-[(pyrimidin-2-ylamino)methyl]butanoic acid
CID 65226732
ethane;2-ethylbutanoic acid
CID 142229949

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid?
The IUPAC name of 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid (CID 115249694) is 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid.
What is the SMILES notation for 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid?
The canonical SMILES for 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid is CCC(CNc1c(C)c(C)cc(C)c1C)C(=O)O.
What is the InChIKey of 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid?
The InChIKey is OTLKVIAJOFBAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-13(15(17)18)8-16-14-11(4)9(2)7-10(3)12(14)5/h7,13,16H,6,8H2,1-5H3,(H,17,18).
What are the key properties of 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid?
2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid has a molecular weight of 249.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid is sourced from PubChem (CID 115249694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).