2-(N-butyl-2,6-dimethylanilino)acetic acid

C14H21NO2 — CID 70523959

IUPAC2-(N-butyl-2,6-dimethylanilino)acetic acid
SMILESCCCCN(CC(=O)O)c1c(C)cccc1C
InChIInChI=1S/C14H21NO2/c1-4-5-9-15(10-13(16)17)14-11(2)7-6-8-12(14)3/h6-8H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeyYKTGNODYNAPQKH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.99
Rot. Bonds6

About 2-(N-butyl-2,6-dimethylanilino)acetic acid

2-(N-butyl-2,6-dimethylanilino)acetic acid (PubChem CID 70523959) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(N-butyl-2,6-dimethylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-butyl-2,6-dimethylanilino)acetic acid
PubChem CID70523959
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(N-butyl-2,6-dimethylanilino)acetic acid
SMILESCCCCN(CC(=O)O)c1c(C)cccc1C
InChIInChI=1S/C14H21NO2/c1-4-5-9-15(10-13(16)17)14-11(2)7-6-8-12(14)3/h6-8H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeyYKTGNODYNAPQKH-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-butyl-2,6-dimethylanilino)acetic 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

N,N-dibutyl-2,6-dimethylaniline
CID 100917562
3-(N-heptyl-2,6-dimethylanilino)propanoic acid
CID 82319047
3-(N-heptyl-2,6-dimethylanilino)-2-methylpropanoic acid
CID 82319077
2-(2,3-dimethyl-N-propylanilino)acetic acid
CID 83560260
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid
CID 82319983
2-(2,6-dicyano-N-propylanilino)acetic acid
CID 122051367
3-amino-2-[(2-amino-2-oxoethyl)-butylamino]benzoic acid
CID 112578598
2-(2,6-dimethyl-N-pentylanilino)propanoic acid
CID 70524742
2-(N-butyl-4-ethylsulfonylanilino)acetic acid
CID 18972370
3-(2,6-dimethyl-N-prop-2-ynylanilino)propanoic acid
CID 82320215
3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid
CID 82318176

Frequently Asked Questions

What is the IUPAC name of 2-(N-butyl-2,6-dimethylanilino)acetic acid?
The IUPAC name of 2-(N-butyl-2,6-dimethylanilino)acetic acid (CID 70523959) is 2-(N-butyl-2,6-dimethylanilino)acetic acid.
What is the SMILES notation for 2-(N-butyl-2,6-dimethylanilino)acetic acid?
The canonical SMILES for 2-(N-butyl-2,6-dimethylanilino)acetic acid is CCCCN(CC(=O)O)c1c(C)cccc1C.
What is the InChIKey of 2-(N-butyl-2,6-dimethylanilino)acetic acid?
The InChIKey is YKTGNODYNAPQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-9-15(10-13(16)17)14-11(2)7-6-8-12(14)3/h6-8H,4-5,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(N-butyl-2,6-dimethylanilino)acetic acid?
2-(N-butyl-2,6-dimethylanilino)acetic acid has a molecular weight of 235.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butyl-2,6-dimethylanilino)acetic acid is sourced from PubChem (CID 70523959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).