(E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid

C12H15NO3 — CID 103268817

IUPAC(E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid
SMILESCOCCc1ccccc1N/C=C/C(=O)O
InChIInChI=1S/C12H15NO3/c1-16-9-7-10-4-2-3-5-11(10)13-8-6-12(14)15/h2-6,8,13H,7,9H2,1H3,(H,14,15)/b8-6+
InChIKeyWGOLDBIWVXLWAS-SOFGYWHQSA-N
MW221.26 g/mol
LogP1.89
Rot. Bonds6

About (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid

(E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid (PubChem CID 103268817) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid
PubChem CID103268817
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid
SMILESCOCCc1ccccc1N/C=C/C(=O)O
InChIInChI=1S/C12H15NO3/c1-16-9-7-10-4-2-3-5-11(10)13-8-6-12(14)15/h2-6,8,13H,7,9H2,1H3,(H,14,15)/b8-6+
InChIKeyWGOLDBIWVXLWAS-SOFGYWHQSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic 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

(E)-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]-4-oxobut-2-enoic acid
CID 102906598
(E)-4-[2-(2-methoxyethyl)anilino]-3-methylbut-2-enoic acid
CID 103268799
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide
CID 112746849
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
CID 102907729
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid (CID 103268817) is (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid is COCCc1ccccc1N/C=C/C(=O)O.
What is the InChIKey of (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid?
The InChIKey is WGOLDBIWVXLWAS-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-9-7-10-4-2-3-5-11(10)13-8-6-12(14)15/h2-6,8,13H,7,9H2,1H3,(H,14,15)/b8-6+.
What are the key properties of (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid?
(E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid is sourced from PubChem (CID 103268817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).