(4E)-4-hydroxyimino-5-phenylpentanoic acid

C11H13NO3 — CID 6341274

IUPAC(4E)-4-hydroxyimino-5-phenylpentanoic acid
SMILESO=C(O)CC/C(Cc1ccccc1)=N\O
InChIInChI=1S/C11H13NO3/c13-11(14)7-6-10(12-15)8-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,13,14)/b12-10+
InChIKeyXRSXRIKTJGFWQW-ZRDIBKRKSA-N
MW207.23 g/mol
LogP1.92
Rot. Bonds5

About (4E)-4-hydroxyimino-5-phenylpentanoic acid

(4E)-4-hydroxyimino-5-phenylpentanoic acid (PubChem CID 6341274) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (4E)-4-hydroxyimino-5-phenylpentanoic acid.

Molecular Properties

Compound Name(4E)-4-hydroxyimino-5-phenylpentanoic acid
PubChem CID6341274
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(4E)-4-hydroxyimino-5-phenylpentanoic acid
SMILESO=C(O)CC/C(Cc1ccccc1)=N\O
InChIInChI=1S/C11H13NO3/c13-11(14)7-6-10(12-15)8-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,13,14)/b12-10+
InChIKeyXRSXRIKTJGFWQW-ZRDIBKRKSA-N
XLogP1.92
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid
CID 12642600
(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
CID 88690569
tris(2-phenylacetic acid);rhodium
CID 11168112
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;dihydrate
CID 168967514
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
CID 135482640
2-[(Z)-1-phenylbutan-2-ylideneamino]oxyacetic acid
CID 79007723
8-oxo-9-phenylnonanoic acid
CID 58119944

Frequently Asked Questions

What is the IUPAC name of (4E)-4-hydroxyimino-5-phenylpentanoic acid?
The IUPAC name of (4E)-4-hydroxyimino-5-phenylpentanoic acid (CID 6341274) is (4E)-4-hydroxyimino-5-phenylpentanoic acid.
What is the SMILES notation for (4E)-4-hydroxyimino-5-phenylpentanoic acid?
The canonical SMILES for (4E)-4-hydroxyimino-5-phenylpentanoic acid is O=C(O)CC/C(Cc1ccccc1)=N\O.
What is the InChIKey of (4E)-4-hydroxyimino-5-phenylpentanoic acid?
The InChIKey is XRSXRIKTJGFWQW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(14)7-6-10(12-15)8-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,13,14)/b12-10+.
What are the key properties of (4E)-4-hydroxyimino-5-phenylpentanoic acid?
(4E)-4-hydroxyimino-5-phenylpentanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-hydroxyimino-5-phenylpentanoic acid is sourced from PubChem (CID 6341274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).