(4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid

C12H14Cl2N2O3 — CID 44622394

IUPAC(4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid
SMILESNCCO/N=C(/CCC(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O3/c13-9-2-1-8(7-10(9)14)11(3-4-12(17)18)16-19-6-5-15/h1-2,7H,3-6,15H2,(H,17,18)/b16-11-
InChIKeyTUJKGJWQAQEKOW-WJDWOHSUSA-N
MW305.16 g/mol
LogP2.54
Rot. Bonds7

About (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid

(4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid (PubChem CID 44622394) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid.

Molecular Properties

Compound Name(4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid
PubChem CID44622394
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name(4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid
SMILESNCCO/N=C(/CCC(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O3/c13-9-2-1-8(7-10(9)14)11(3-4-12(17)18)16-19-6-5-15/h1-2,7H,3-6,15H2,(H,17,18)/b16-11-
InChIKeyTUJKGJWQAQEKOW-WJDWOHSUSA-N
XLogP2.54
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic 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

3,4-Dichloro-L-phenylalanine
CID 2761498
2-Amino-3-(3,4-dichlorophenyl)propanoic acid
CID 225439
2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
CID 164613441
2-Amino-3-(3,4-dichlorophenyl)propanoic acid hydrochloride
CID 86178878
2-Amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride
CID 170913671
[3-(3,4-Dichloro-phenyl)-4,5-dihydro-isoxazol-4-yl]-acetic acid
CID 44634450
(4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid;2,2,2-trifluoroacetic acid
CID 87387442
4-(2-Aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid;2,2,2-trifluoroacetic acid
CID 159213481
2-[[3-Carboxy-1-(3,4-dichlorophenyl)propylidene]amino]oxyethylazanium;2,2,2-trifluoroacetic acid
CID 160989047
(2,2,2-Trifluoroacetyl) 4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoate
CID 173069723
3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 3158063
(R)-2-Amino-3-(3,4-dichlorophenyl)propanoic acid
CID 6993646

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid?
The IUPAC name of (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid (CID 44622394) is (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid.
What is the SMILES notation for (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid?
The canonical SMILES for (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid is NCCO/N=C(/CCC(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid?
The InChIKey is TUJKGJWQAQEKOW-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c13-9-2-1-8(7-10(9)14)11(3-4-12(17)18)16-19-6-5-15/h1-2,7H,3-6,15H2,(H,17,18)/b16-11-.
What are the key properties of (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid?
(4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid is sourced from PubChem (CID 44622394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).