2-(2,6-dimethylanilino)-2-methylbutanoic acid

C13H19NO2 — CID 70558960

IUPAC2-(2,6-dimethylanilino)-2-methylbutanoic acid
SMILESCCC(C)(Nc1c(C)cccc1C)C(=O)O
InChIInChI=1S/C13H19NO2/c1-5-13(4,12(15)16)14-11-9(2)7-6-8-10(11)3/h6-8,14H,5H2,1-4H3,(H,15,16)
InChIKeyCVBYPPCEFKZQOG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.97
Rot. Bonds4

About 2-(2,6-dimethylanilino)-2-methylbutanoic acid

2-(2,6-dimethylanilino)-2-methylbutanoic acid (PubChem CID 70558960) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-2-methylbutanoic acid
PubChem CID70558960
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2,6-dimethylanilino)-2-methylbutanoic acid
SMILESCCC(C)(Nc1c(C)cccc1C)C(=O)O
InChIInChI=1S/C13H19NO2/c1-5-13(4,12(15)16)14-11-9(2)7-6-8-10(11)3/h6-8,14H,5H2,1-4H3,(H,15,16)
InChIKeyCVBYPPCEFKZQOG-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid
CID 120686276
2-(4-bromoanilino)-2-methylbutanoic acid
CID 60994678
2-(3,5-dimethylanilino)-2-methylbutanoic acid
CID 71564852
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801477
2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79798018
2-methyl-2-(2-methylsulfonylanilino)butanoic acid
CID 79798877
2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid
CID 112741948
2-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid
CID 79793673
2-methyl-2-[2-(2-methylphenoxy)ethylamino]butanoic acid
CID 79789369
3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 148752104

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-2-methylbutanoic acid?
The IUPAC name of 2-(2,6-dimethylanilino)-2-methylbutanoic acid (CID 70558960) is 2-(2,6-dimethylanilino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2,6-dimethylanilino)-2-methylbutanoic acid?
The canonical SMILES for 2-(2,6-dimethylanilino)-2-methylbutanoic acid is CCC(C)(Nc1c(C)cccc1C)C(=O)O.
What is the InChIKey of 2-(2,6-dimethylanilino)-2-methylbutanoic acid?
The InChIKey is CVBYPPCEFKZQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-13(4,12(15)16)14-11-9(2)7-6-8-10(11)3/h6-8,14H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-(2,6-dimethylanilino)-2-methylbutanoic acid?
2-(2,6-dimethylanilino)-2-methylbutanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-2-methylbutanoic acid is sourced from PubChem (CID 70558960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).