3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid

C14H21NO2 — CID 82318767

IUPAC3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid
SMILESCCN(CCC(=O)O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-5-15(7-6-13(16)17)14-11(3)8-10(2)9-12(14)4/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyVZHJRRCBRYCCDP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.91
Rot. Bonds5

About 3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid

3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid (PubChem CID 82318767) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid
PubChem CID82318767
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid
SMILESCCN(CCC(=O)O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-5-15(7-6-13(16)17)14-11(3)8-10(2)9-12(14)4/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyVZHJRRCBRYCCDP-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[N-(2-carboxyethyl)-2,4,6-trimethylanilino]butanoic acid
CID 82320101
3-(2,4,6-trimethyl-N-prop-2-ynylanilino)propanoic acid
CID 82320200
3-[2,4,6-trimethyl-N-(3-methylbutyl)anilino]propanoic acid
CID 82319111
3-[N-(carboxymethyl)-2-chloro-4,6-dimethylanilino]propanoic acid
CID 82316984
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid
CID 61183576
3-[2-chloro-4,6-dimethyl-N-(3-methylbutyl)anilino]propanoic acid
CID 82319096
3-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 39385586
3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid
CID 83062665
3-(N-[2-(diethylamino)-2-oxoethyl]-2,4-dimethylanilino)propanoic acid
CID 95529084
3-[N-(2-carboxyethyl)-2,5-dimethylanilino]propanoic acid
CID 19706421
3-(N-ethyl-2,3-dimethylanilino)propanoic acid
CID 82318760
3-(4-carbamoyl-N-ethyl-2-methylanilino)propanoic acid
CID 61009879

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid?
The IUPAC name of 3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid (CID 82318767) is 3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid.
What is the SMILES notation for 3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid?
The canonical SMILES for 3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid is CCN(CCC(=O)O)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid?
The InChIKey is VZHJRRCBRYCCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15(7-6-13(16)17)14-11(3)8-10(2)9-12(14)4/h8-9H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid?
3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid is sourced from PubChem (CID 82318767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).