4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid

C13H19NO3 — CID 82777293

IUPAC4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid
SMILESCCN(CC(O)CC(=O)O)c1ccccc1C
InChIInChI=1S/C13H19NO3/c1-3-14(9-11(15)8-13(16)17)12-7-5-4-6-10(12)2/h4-7,11,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyJVMYHJWOYZCURK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.66
Rot. Bonds6

About 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid

4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid (PubChem CID 82777293) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid
PubChem CID82777293
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid
SMILESCCN(CC(O)CC(=O)O)c1ccccc1C
InChIInChI=1S/C13H19NO3/c1-3-14(9-11(15)8-13(16)17)12-7-5-4-6-10(12)2/h4-7,11,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyJVMYHJWOYZCURK-UHFFFAOYSA-N
XLogP1.66
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic 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

1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol
CID 174382488
1-(N-ethyl-2-methylanilino)pentan-2-ol
CID 62041707
1-(3,4-dimethylphenyl)-2-(N-ethyl-2-methylanilino)ethanol
CID 63473038
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
CID 173160114
CID 173160114
4-(2-bromo-N-methylanilino)-3-hydroxybutanoic acid
CID 115122991
5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 59823931
2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid
CID 65496312
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465
2-(N-ethyl-2-methylanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 47121669
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid?
The IUPAC name of 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid (CID 82777293) is 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid is CCN(CC(O)CC(=O)O)c1ccccc1C.
What is the InChIKey of 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid?
The InChIKey is JVMYHJWOYZCURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-14(9-11(15)8-13(16)17)12-7-5-4-6-10(12)2/h4-7,11,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid?
4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid is sourced from PubChem (CID 82777293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).