2-(N,2,4,5-tetramethylanilino)propanoic acid

C13H19NO2 — CID 117041856

IUPAC2-(N,2,4,5-tetramethylanilino)propanoic acid
SMILESCc1cc(C)c(N(C)C(C)C(=O)O)cc1C
InChIInChI=1S/C13H19NO2/c1-8-6-10(3)12(7-9(8)2)14(5)11(4)13(15)16/h6-7,11H,1-5H3,(H,15,16)
InChIKeyIIGVEZWVVVZCJM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.52
Rot. Bonds3

About 2-(N,2,4,5-tetramethylanilino)propanoic acid

2-(N,2,4,5-tetramethylanilino)propanoic acid (PubChem CID 117041856) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(N,2,4,5-tetramethylanilino)propanoic acid.

Molecular Properties

Compound Name2-(N,2,4,5-tetramethylanilino)propanoic acid
PubChem CID117041856
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(N,2,4,5-tetramethylanilino)propanoic acid
SMILESCc1cc(C)c(N(C)C(C)C(=O)O)cc1C
InChIInChI=1S/C13H19NO2/c1-8-6-10(3)12(7-9(8)2)14(5)11(4)13(15)16/h6-7,11H,1-5H3,(H,15,16)
InChIKeyIIGVEZWVVVZCJM-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N,2,4,5-tetramethylanilino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497
2-(N,2,4,5-tetramethylanilino)butanedioic acid
CID 115144332
2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid
CID 117041855
(2R)-2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 125041871
2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 117041801
(2S)-2-(4-methoxy-N,3-dimethylanilino)propanoic acid
CID 91455693
2-[(3,4-dimethylbenzoyl)-methylamino]propanoic acid
CID 62628336
3-methyl-4-oxo-4-(N,2,4,5-tetramethylanilino)butanoic acid
CID 115164533
2-(3-chloro-N,4-dimethylanilino)propanoic acid
CID 133150351
2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid
CID 122048748
2-(N,4-dimethyl-2-nitroanilino)propanoic acid
CID 62637384
2-[1-carboxyethyl(methyl)amino]-5-chlorobenzoic acid
CID 19750856

Frequently Asked Questions

What is the IUPAC name of 2-(N,2,4,5-tetramethylanilino)propanoic acid?
The IUPAC name of 2-(N,2,4,5-tetramethylanilino)propanoic acid (CID 117041856) is 2-(N,2,4,5-tetramethylanilino)propanoic acid.
What is the SMILES notation for 2-(N,2,4,5-tetramethylanilino)propanoic acid?
The canonical SMILES for 2-(N,2,4,5-tetramethylanilino)propanoic acid is Cc1cc(C)c(N(C)C(C)C(=O)O)cc1C.
What is the InChIKey of 2-(N,2,4,5-tetramethylanilino)propanoic acid?
The InChIKey is IIGVEZWVVVZCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-6-10(3)12(7-9(8)2)14(5)11(4)13(15)16/h6-7,11H,1-5H3,(H,15,16).
What are the key properties of 2-(N,2,4,5-tetramethylanilino)propanoic acid?
2-(N,2,4,5-tetramethylanilino)propanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2,4,5-tetramethylanilino)propanoic acid is sourced from PubChem (CID 117041856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).