2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid

C14H19NO3 — CID 58663104

IUPAC2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid
SMILESC/C(=N/OCC(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H19NO3/c1-10(15-18-9-13(16)17)11-5-7-12(8-6-11)14(2,3)4/h5-8H,9H2,1-4H3,(H,16,17)/b15-10-
InChIKeyONSUQQKMVZNUTP-GDNBJRDFSA-N
MW249.31 g/mol
LogP2.81
Rot. Bonds4

About 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid

2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid (PubChem CID 58663104) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid
PubChem CID58663104
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid
SMILESC/C(=N/OCC(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H19NO3/c1-10(15-18-9-13(16)17)11-5-7-12(8-6-11)14(2,3)4/h5-8H,9H2,1-4H3,(H,16,17)/b15-10-
InChIKeyONSUQQKMVZNUTP-GDNBJRDFSA-N
XLogP2.81
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic 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

2-(1-pyridin-4-ylethylideneamino)oxyacetic acid
CID 77013247
2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid
CID 72975664
4-[2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyethoxy]-3-chlorobenzoic acid
CID 86597388
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide
CID 24609674
2-[1-(2,5-dimethylphenyl)ethylideneamino]oxyacetic acid
CID 77013314
CID 175176965
CID 175176965
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
alumane;carboxy 4-tert-butylbenzoate
CID 174594858
2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
CID 173297287
2-[4-[(E)-N-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]acetic acid
CID 24949750

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid?
The IUPAC name of 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid (CID 58663104) is 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid is C/C(=N/OCC(=O)O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid?
The InChIKey is ONSUQQKMVZNUTP-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(15-18-9-13(16)17)11-5-7-12(8-6-11)14(2,3)4/h5-8H,9H2,1-4H3,(H,16,17)/b15-10-.
What are the key properties of 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid?
2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid is sourced from PubChem (CID 58663104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).