4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid

C15H23N3O3 — CID 10424476

IUPAC4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid
SMILESO=C(O)CCCO/N=C(/Cn1ccnc1)C1CCCCC1
InChIInChI=1S/C15H23N3O3/c19-15(20)7-4-10-21-17-14(11-18-9-8-16-12-18)13-5-2-1-3-6-13/h8-9,12-13H,1-7,10-11H2,(H,19,20)/b17-14-
InChIKeySYEVLCDDQFOPCI-VKAVYKQESA-N
MW293.37 g/mol
LogP2.70
Rot. Bonds8

About 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid

4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid (PubChem CID 10424476) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid.

Molecular Properties

Compound Name4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid
PubChem CID10424476
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid
SMILESO=C(O)CCCO/N=C(/Cn1ccnc1)C1CCCCC1
InChIInChI=1S/C15H23N3O3/c19-15(20)7-4-10-21-17-14(11-18-9-8-16-12-18)13-5-2-1-3-6-13/h8-9,12-13H,1-7,10-11H2,(H,19,20)/b17-14-
InChIKeySYEVLCDDQFOPCI-VKAVYKQESA-N
XLogP2.70
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid?
The IUPAC name of 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid (CID 10424476) is 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid.
What is the SMILES notation for 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid?
The canonical SMILES for 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid is O=C(O)CCCO/N=C(/Cn1ccnc1)C1CCCCC1.
What is the InChIKey of 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid?
The InChIKey is SYEVLCDDQFOPCI-VKAVYKQESA-N. The full InChI is InChI=1S/C15H23N3O3/c19-15(20)7-4-10-21-17-14(11-18-9-8-16-12-18)13-5-2-1-3-6-13/h8-9,12-13H,1-7,10-11H2,(H,19,20)/b17-14-.
What are the key properties of 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid?
4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoic acid is sourced from PubChem (CID 10424476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).