4-hydroxyimino-2-phenoxybutanoic acid

C10H11NO4 — CID 173335347

IUPAC4-hydroxyimino-2-phenoxybutanoic acid
SMILESO=C(O)C(CC=NO)Oc1ccccc1
InChIInChI=1S/C10H11NO4/c12-10(13)9(6-7-11-14)15-8-4-2-1-3-5-8/h1-5,7,9,14H,6H2,(H,12,13)
InChIKeyLJRAWCCTTDZJNE-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.37
Rot. Bonds5

About 4-hydroxyimino-2-phenoxybutanoic acid

4-hydroxyimino-2-phenoxybutanoic acid (PubChem CID 173335347) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-hydroxyimino-2-phenoxybutanoic acid.

Molecular Properties

Compound Name4-hydroxyimino-2-phenoxybutanoic acid
PubChem CID173335347
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-hydroxyimino-2-phenoxybutanoic acid
SMILESO=C(O)C(CC=NO)Oc1ccccc1
InChIInChI=1S/C10H11NO4/c12-10(13)9(6-7-11-14)15-8-4-2-1-3-5-8/h1-5,7,9,14H,6H2,(H,12,13)
InChIKeyLJRAWCCTTDZJNE-UHFFFAOYSA-N
XLogP1.37
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-but-2-enedioic acid;2-phenoxybutanoic acid
CID 162331423
(2R)-2-phenoxyhexanoic acid
CID 71401043
N-(3,3-diphenylpropylidene)hydroxylamine
CID 174472978
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
CID 99646181
(3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid
CID 169084697
3-phenoxy-2-pyridin-4-yloxypropanoic acid
CID 54521232
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
decanedioic acid;2-phenoxybutanoic acid
CID 69302201
3-hydroxy-2-phenoxypropanamide
CID 91367159
sodium 2-phenoxypentanoate
CID 59946136
3-(benzenesulfonamido)-2-phenoxypropanoic acid
CID 21178348
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide
CID 136728520

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyimino-2-phenoxybutanoic acid?
The IUPAC name of 4-hydroxyimino-2-phenoxybutanoic acid (CID 173335347) is 4-hydroxyimino-2-phenoxybutanoic acid.
What is the SMILES notation for 4-hydroxyimino-2-phenoxybutanoic acid?
The canonical SMILES for 4-hydroxyimino-2-phenoxybutanoic acid is O=C(O)C(CC=NO)Oc1ccccc1.
What is the InChIKey of 4-hydroxyimino-2-phenoxybutanoic acid?
The InChIKey is LJRAWCCTTDZJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-10(13)9(6-7-11-14)15-8-4-2-1-3-5-8/h1-5,7,9,14H,6H2,(H,12,13).
What are the key properties of 4-hydroxyimino-2-phenoxybutanoic acid?
4-hydroxyimino-2-phenoxybutanoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-2-phenoxybutanoic acid is sourced from PubChem (CID 173335347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).