2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid

C15H21NO3 — CID 79266405

IUPAC2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid
SMILESCc1cc(C)cc(C(=O)N(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C15H21NO3/c1-10-6-11(2)8-12(7-10)14(19)16(9-13(17)18)15(3,4)5/h6-8H,9H2,1-5H3,(H,17,18)
InChIKeyGWJVWVBGXWJNLL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.63
Rot. Bonds3

About 2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid

2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid (PubChem CID 79266405) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid
PubChem CID79266405
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid
SMILESCc1cc(C)cc(C(=O)N(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C15H21NO3/c1-10-6-11(2)8-12(7-10)14(19)16(9-13(17)18)15(3,4)5/h6-8H,9H2,1-5H3,(H,17,18)
InChIKeyGWJVWVBGXWJNLL-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[tert-butyl-(3-iodobenzoyl)amino]acetic acid
CID 79265858
2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 79265302
2-[tert-butyl-(4-propan-2-ylbenzoyl)amino]acetic acid
CID 79266009
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
2-[tert-butyl-(4-methylsulfonylbenzoyl)amino]acetic acid
CID 79262249
2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid
CID 79264867
2-[tert-butyl-(3-cyanobenzoyl)amino]acetic acid
CID 79266612
2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 79266390
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620
2-[(4-amino-2-fluorobenzoyl)-tert-butylamino]acetic acid
CID 107794622
2-[tert-butyl-(2-hydroxy-3,5-diiodobenzoyl)amino]acetic acid
CID 79265847

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid (CID 79266405) is 2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid is Cc1cc(C)cc(C(=O)N(CC(=O)O)C(C)(C)C)c1.
What is the InChIKey of 2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid?
The InChIKey is GWJVWVBGXWJNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-11(2)8-12(7-10)14(19)16(9-13(17)18)15(3,4)5/h6-8H,9H2,1-5H3,(H,17,18).
What are the key properties of 2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid?
2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid is sourced from PubChem (CID 79266405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).