2-acetamido-2-(3,4-dimethylphenyl)propanoic acid

C13H17NO3 — CID 63705027

IUPAC2-acetamido-2-(3,4-dimethylphenyl)propanoic acid
SMILESCC(=O)NC(C)(C(=O)O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H17NO3/c1-8-5-6-11(7-9(8)2)13(4,12(16)17)14-10(3)15/h5-7H,1-4H3,(H,14,15)(H,16,17)
InChIKeyIWGSUOZMXXNQSF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.74
Rot. Bonds3

About 2-acetamido-2-(3,4-dimethylphenyl)propanoic acid

2-acetamido-2-(3,4-dimethylphenyl)propanoic acid (PubChem CID 63705027) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-acetamido-2-(3,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-2-(3,4-dimethylphenyl)propanoic acid
PubChem CID63705027
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-acetamido-2-(3,4-dimethylphenyl)propanoic acid
SMILESCC(=O)NC(C)(C(=O)O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H17NO3/c1-8-5-6-11(7-9(8)2)13(4,12(16)17)14-10(3)15/h5-7H,1-4H3,(H,14,15)(H,16,17)
InChIKeyIWGSUOZMXXNQSF-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-acetamido-2-(3-hydroxyphenyl)propanoic acid
CID 63702146
2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 63702147
2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid
CID 60993618
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
CID 60993781
2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid
CID 39058323
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
CID 60788348
2-(3,4-dichlorophenyl)-2-formamidopropanoic acid
CID 63689862
3-[2-(3,4-dimethylphenyl)propan-2-yl-methylamino]-3-methylbutan-2-one
CID 143822904

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(3,4-dimethylphenyl)propanoic acid?
The IUPAC name of 2-acetamido-2-(3,4-dimethylphenyl)propanoic acid (CID 63705027) is 2-acetamido-2-(3,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-acetamido-2-(3,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-acetamido-2-(3,4-dimethylphenyl)propanoic acid is CC(=O)NC(C)(C(=O)O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-acetamido-2-(3,4-dimethylphenyl)propanoic acid?
The InChIKey is IWGSUOZMXXNQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-5-6-11(7-9(8)2)13(4,12(16)17)14-10(3)15/h5-7H,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamido-2-(3,4-dimethylphenyl)propanoic acid?
2-acetamido-2-(3,4-dimethylphenyl)propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(3,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 63705027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).