3-anilino-2,2-dimethylpropanoic acid

C11H15NO2 — CID 13028386

IUPAC3-anilino-2,2-dimethylpropanoic acid
SMILESCC(C)(CNc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO2/c1-11(2,10(13)14)8-12-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3,(H,13,14)
InChIKeyFQQNYVJSEVXVEA-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.21
Rot. Bonds4

About 3-anilino-2,2-dimethylpropanoic acid

3-anilino-2,2-dimethylpropanoic acid (PubChem CID 13028386) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-anilino-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-anilino-2,2-dimethylpropanoic acid
PubChem CID13028386
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-anilino-2,2-dimethylpropanoic acid
SMILESCC(C)(CNc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO2/c1-11(2,10(13)14)8-12-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3,(H,13,14)
InChIKeyFQQNYVJSEVXVEA-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-acetamidoanilino)-2,2-dimethylpropanoic acid
CID 79629806
CID 23065812
CID 23065812
2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
CID 79629217
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid
CID 106759821
1-(1-anilino-2-methylpropan-2-yl)-3-methylurea
CID 142040986
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934
3-(3,5-dichloro-4-fluoroanilino)-2,2-dimethylpropanoic acid
CID 107573955
2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid
CID 104591356
4-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]benzoic acid
CID 106277914

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2,2-dimethylpropanoic acid?
The IUPAC name of 3-anilino-2,2-dimethylpropanoic acid (CID 13028386) is 3-anilino-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-anilino-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-anilino-2,2-dimethylpropanoic acid is CC(C)(CNc1ccccc1)C(=O)O.
What is the InChIKey of 3-anilino-2,2-dimethylpropanoic acid?
The InChIKey is FQQNYVJSEVXVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,10(13)14)8-12-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3,(H,13,14).
What are the key properties of 3-anilino-2,2-dimethylpropanoic acid?
3-anilino-2,2-dimethylpropanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2,2-dimethylpropanoic acid is sourced from PubChem (CID 13028386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).