2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid

C26H29NO7 — CID 10528247

IUPAC2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid
SMILESCC(C)(C)C(=O)c1ccc(C(=O)O/C(=N\OCC(=O)O)c2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H29NO7/c1-25(2,3)21(30)16-7-11-18(12-8-16)23(27-33-15-20(28)29)34-24(32)19-13-9-17(10-14-19)22(31)26(4,5)6/h7-14H,15H2,1-6H3,(H,28,29)/b27-23-
InChIKeyXPLQLBZPFGTVBN-VYIQYICTSA-N
MW467.52 g/mol
LogP4.76
Rot. Bonds7

About 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid

2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid (PubChem CID 10528247) has the molecular formula C26H29NO7 and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid
PubChem CID10528247
Molecular FormulaC26H29NO7
Molecular Weight467.52 g/mol
Exact Mass467.19
IUPAC Name2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid
SMILESCC(C)(C)C(=O)c1ccc(C(=O)O/C(=N\OCC(=O)O)c2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H29NO7/c1-25(2,3)21(30)16-7-11-18(12-8-16)23(27-33-15-20(28)29)34-24(32)19-13-9-17(10-14-19)22(31)26(4,5)6/h7-14H,15H2,1-6H3,(H,28,29)/b27-23-
InChIKeyXPLQLBZPFGTVBN-VYIQYICTSA-N
XLogP4.76
TPSA119.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]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

4-[[(E)-Carboxymethoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-benzoic acid
CID 44377164
[(E)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-methoxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 5491458
((Z)-C-(4-(2,2-Dimethylpropanoyl)phenyl)-N-methoxycarbonimidoyl)4-(2,2-dimethylpropanoyl)benzoate
CID 6918214
[4-(5,5-Dimethyl-3,6-dioxocyclohexen-1-yl)phenyl]methyl benzoate
CID 46904830
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-propan-2-yloxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10551568
4-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxybutanoic acid
CID 10553286
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10695494
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-methoxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10719065
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-(2-hydroxyethoxy)carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10742321
[3-[4-(2,2-Dimethylpropanoyl)benzoyl]oxy-2-hydroxypropyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10742908
[(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-prop-2-enoxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10765923
[(Z)-C-[4-[(1R)-1-hydroxy-2,2-dimethylpropyl]phenyl]-N-methoxycarbonimidoyl] 4-[(1S)-1-hydroxy-2,2-dimethylpropyl]benzoate
CID 44289317

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid?
The IUPAC name of 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid (CID 10528247) is 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid.
What is the SMILES notation for 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid?
The canonical SMILES for 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid is CC(C)(C)C(=O)c1ccc(C(=O)O/C(=N\OCC(=O)O)c2ccc(C(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid?
The InChIKey is XPLQLBZPFGTVBN-VYIQYICTSA-N. The full InChI is InChI=1S/C26H29NO7/c1-25(2,3)21(30)16-7-11-18(12-8-16)23(27-33-15-20(28)29)34-24(32)19-13-9-17(10-14-19)22(31)26(4,5)6/h7-14H,15H2,1-6H3,(H,28,29)/b27-23-.
What are the key properties of 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid?
2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid has a molecular weight of 467.52 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[[4-(2,2-dimethylpropanoyl)benzoyl]oxy-[4-(2,2-dimethylpropanoyl)phenyl]methylidene]amino]oxyacetic acid is sourced from PubChem (CID 10528247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).