(Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid

C14H19NO3 — CID 103230160

IUPAC(Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid
SMILESCC/C(=C/CNC(CO)c1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-2-11(14(17)18)8-9-15-13(10-16)12-6-4-3-5-7-12/h3-8,13,15-16H,2,9-10H2,1H3,(H,17,18)/b11-8-
InChIKeyUEPCTYXXNXOILO-FLIBITNWSA-N
MW249.31 g/mol
LogP1.73
Rot. Bonds7

About (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid

(Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid (PubChem CID 103230160) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid
PubChem CID103230160
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid
SMILESCC/C(=C/CNC(CO)c1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-2-11(14(17)18)8-9-15-13(10-16)12-6-4-3-5-7-12/h3-8,13,15-16H,2,9-10H2,1H3,(H,17,18)/b11-8-
InChIKeyUEPCTYXXNXOILO-FLIBITNWSA-N
XLogP1.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-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

(Z)-4-[[(1S)-1-(3-bromophenyl)ethyl]amino]-2-ethylbut-2-enoic acid
CID 103257361
(Z)-4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-ethylbut-2-enoic acid
CID 103257200
(Z)-2-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]but-2-enoic acid
CID 103244682
2-ethyl-4-(3-methylbutan-2-ylamino)but-2-enoic acid
CID 103230423
N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
CID 63182961
(Z)-2-ethyl-4-[1-(1,3-thiazol-2-yl)propylamino]but-2-enoic acid
CID 103253927
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]but-2-enamide
CID 102059297
(Z)-2-ethyl-4-(1-hydroxypentan-3-ylamino)but-2-enoic acid
CID 103267729
(Z)-2-ethyl-4-(2-fluoroanilino)but-2-enoic acid
CID 103235463
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid?
The IUPAC name of (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid (CID 103230160) is (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid.
What is the SMILES notation for (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid?
The canonical SMILES for (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid is CC/C(=C/CNC(CO)c1ccccc1)C(=O)O.
What is the InChIKey of (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid?
The InChIKey is UEPCTYXXNXOILO-FLIBITNWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-11(14(17)18)8-9-15-13(10-16)12-6-4-3-5-7-12/h3-8,13,15-16H,2,9-10H2,1H3,(H,17,18)/b11-8-.
What are the key properties of (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid?
(Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-4-[(2-hydroxy-1-phenylethyl)amino]but-2-enoic acid is sourced from PubChem (CID 103230160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).