dibenzyl (2E)-2-hydroxyiminopentanedioate

C19H19NO5 — CID 46183552

IUPACdibenzyl (2E)-2-hydroxyiminopentanedioate
SMILESO=C(CC/C(=N\O)C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H19NO5/c21-18(24-13-15-7-3-1-4-8-15)12-11-17(20-23)19(22)25-14-16-9-5-2-6-10-16/h1-10,23H,11-14H2/b20-17+
InChIKeyUZSNHUVRXSOJTH-LVZFUZTISA-N
MW341.36 g/mol
LogP3.08
Rot. Bonds8

About dibenzyl (2E)-2-hydroxyiminopentanedioate

dibenzyl (2E)-2-hydroxyiminopentanedioate (PubChem CID 46183552) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is dibenzyl (2E)-2-hydroxyiminopentanedioate.

Molecular Properties

Compound Namedibenzyl (2E)-2-hydroxyiminopentanedioate
PubChem CID46183552
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namedibenzyl (2E)-2-hydroxyiminopentanedioate
SMILESO=C(CC/C(=N\O)C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H19NO5/c21-18(24-13-15-7-3-1-4-8-15)12-11-17(20-23)19(22)25-14-16-9-5-2-6-10-16/h1-10,23H,11-14H2/b20-17+
InChIKeyUZSNHUVRXSOJTH-LVZFUZTISA-N
XLogP3.08
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dibenzyl (2E)-2-hydroxyiminopentanedioate 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

benzyl 7-chloro-2-hydroxyiminoheptanoate
CID 73432719
benzyl (2Z)-2-hydroxyimino-5-methoxy-5-phenylpentanoate
CID 18370746
dibenzyl 4-oxoheptanedioate
CID 14639376
4-O-amino 1-O-benzyl butanedioate
CID 54013080
1-O-benzyl 4-O-(methylsulfanylmethyl) butanedioate
CID 71377302
benzyl 5-cyclohexyl-2-hydroxyiminopentanoate
CID 73432788
benzyl 4-(methylideneamino)-4-oxobutanoate
CID 145216142
benzyl 4-oxoheptanoate
CID 172815327
silver 4-oxo-4-phenylmethoxybutanoate
CID 22480517
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
benzyl 2-chloro-2-hydroxyiminoacetate
CID 6823766
1-O-benzyl 4-O-[(2-hydroxyacetyl)oxymethyl] butanedioate
CID 71345343

Frequently Asked Questions

What is the IUPAC name of dibenzyl (2E)-2-hydroxyiminopentanedioate?
The IUPAC name of dibenzyl (2E)-2-hydroxyiminopentanedioate (CID 46183552) is dibenzyl (2E)-2-hydroxyiminopentanedioate.
What is the SMILES notation for dibenzyl (2E)-2-hydroxyiminopentanedioate?
The canonical SMILES for dibenzyl (2E)-2-hydroxyiminopentanedioate is O=C(CC/C(=N\O)C(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl (2E)-2-hydroxyiminopentanedioate?
The InChIKey is UZSNHUVRXSOJTH-LVZFUZTISA-N. The full InChI is InChI=1S/C19H19NO5/c21-18(24-13-15-7-3-1-4-8-15)12-11-17(20-23)19(22)25-14-16-9-5-2-6-10-16/h1-10,23H,11-14H2/b20-17+.
What are the key properties of dibenzyl (2E)-2-hydroxyiminopentanedioate?
dibenzyl (2E)-2-hydroxyiminopentanedioate has a molecular weight of 341.36 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (2E)-2-hydroxyiminopentanedioate is sourced from PubChem (CID 46183552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).