2-(2,3-dimethylanilino)propanoic acid

C11H15NO2 — CID 13138172

IUPAC2-(2,3-dimethylanilino)propanoic acid
SMILESCc1cccc(NC(C)C(=O)O)c1C
InChIInChI=1S/C11H15NO2/c1-7-5-4-6-10(8(7)2)12-9(3)11(13)14/h4-6,9,12H,1-3H3,(H,13,14)
InChIKeyVEUBQULGFGJNPI-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.19
Rot. Bonds3

About 2-(2,3-dimethylanilino)propanoic acid

2-(2,3-dimethylanilino)propanoic acid (PubChem CID 13138172) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)propanoic acid.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)propanoic acid
PubChem CID13138172
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(2,3-dimethylanilino)propanoic acid
SMILESCc1cccc(NC(C)C(=O)O)c1C
InChIInChI=1S/C11H15NO2/c1-7-5-4-6-10(8(7)2)12-9(3)11(13)14/h4-6,9,12H,1-3H3,(H,13,14)
InChIKeyVEUBQULGFGJNPI-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-3-sulfamoylanilino)propanoic acid
CID 66173145
(2S)-2-(2,3-dimethylanilino)propanoic acid;ethyl 2-(2-aminoacetyl)oxypropanoate
CID 70598585
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 42912733
2-(2,3-dimethylanilino)propan-1-ol
CID 21221760
2-(2,3-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113343
N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide
CID 51242343
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
3-(2-methylanilino)butan-2-one
CID 14026537
2-aminoacetic acid;2,2,2-trichloroethyl (2S)-2-(2,3-dimethylanilino)propanoate
CID 70567541
2-(2-aminoanilino)propanoic acid
CID 67237083

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)propanoic acid?
The IUPAC name of 2-(2,3-dimethylanilino)propanoic acid (CID 13138172) is 2-(2,3-dimethylanilino)propanoic acid.
What is the SMILES notation for 2-(2,3-dimethylanilino)propanoic acid?
The canonical SMILES for 2-(2,3-dimethylanilino)propanoic acid is Cc1cccc(NC(C)C(=O)O)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)propanoic acid?
The InChIKey is VEUBQULGFGJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-4-6-10(8(7)2)12-9(3)11(13)14/h4-6,9,12H,1-3H3,(H,13,14).
What are the key properties of 2-(2,3-dimethylanilino)propanoic acid?
2-(2,3-dimethylanilino)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)propanoic acid is sourced from PubChem (CID 13138172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).