6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid

C17H23NO6 — CID 53484369

IUPAC6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid
SMILESO=C(O)CCCCCON=Cc1ccccc1OCC1OCCO1
InChIInChI=1S/C17H23NO6/c19-16(20)8-2-1-5-9-24-18-12-14-6-3-4-7-15(14)23-13-17-21-10-11-22-17/h3-4,6-7,12,17H,1-2,5,8-11,13H2,(H,19,20)
InChIKeyXCKYWONXNGWBHZ-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.43
Rot. Bonds11

About 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid

6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid (PubChem CID 53484369) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid.

Molecular Properties

Compound Name6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid
PubChem CID53484369
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid
SMILESO=C(O)CCCCCON=Cc1ccccc1OCC1OCCO1
InChIInChI=1S/C17H23NO6/c19-16(20)8-2-1-5-9-24-18-12-14-6-3-4-7-15(14)23-13-17-21-10-11-22-17/h3-4,6-7,12,17H,1-2,5,8-11,13H2,(H,19,20)
InChIKeyXCKYWONXNGWBHZ-UHFFFAOYSA-N
XLogP2.43
TPSA86.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid?
The IUPAC name of 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid (CID 53484369) is 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid.
What is the SMILES notation for 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid?
The canonical SMILES for 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid is O=C(O)CCCCCON=Cc1ccccc1OCC1OCCO1.
What is the InChIKey of 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid?
The InChIKey is XCKYWONXNGWBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c19-16(20)8-2-1-5-9-24-18-12-14-6-3-4-7-15(14)23-13-17-21-10-11-22-17/h3-4,6-7,12,17H,1-2,5,8-11,13H2,(H,19,20).
What are the key properties of 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid?
6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid has a molecular weight of 337.37 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]oxyhexanoic acid is sourced from PubChem (CID 53484369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).