2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid

C15H21NO3 — CID 120686276

IUPAC2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cc1c(C)cccc1C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-5-15(4,14(18)19)16-13(17)9-12-10(2)7-6-8-11(12)3/h6-8H,5,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeySJEPZPUUMKQGHZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.22
Rot. Bonds5

About 2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid

2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid (PubChem CID 120686276) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid
PubChem CID120686276
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cc1c(C)cccc1C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-5-15(4,14(18)19)16-13(17)9-12-10(2)7-6-8-11(12)3/h6-8H,5,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeySJEPZPUUMKQGHZ-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid
CID 79793673
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 97161034
2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid
CID 80740415
2-(2,6-dimethylanilino)-2-methylbutanoic acid
CID 70558960
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 120687906
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 79792946
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 79792319
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801477
2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid
CID 79789645
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649
2-(3-benzamidopropanoylamino)-2-methylbutanoic acid
CID 79789289
2-methyl-2-[2-(2-methylphenoxy)ethylamino]butanoic acid
CID 79789369

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid (CID 120686276) is 2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)Cc1c(C)cccc1C)C(=O)O.
What is the InChIKey of 2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid?
The InChIKey is SJEPZPUUMKQGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-15(4,14(18)19)16-13(17)9-12-10(2)7-6-8-11(12)3/h6-8H,5,9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid?
2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 120686276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).