2-[(2E)-2-hydroxyiminopropyl]benzoic acid

C10H11NO3 — CID 55250542

IUPAC2-[(2E)-2-hydroxyiminopropyl]benzoic acid
SMILESC/C(Cc1ccccc1C(=O)O)=N\O
InChIInChI=1S/C10H11NO3/c1-7(11-14)6-8-4-2-3-5-9(8)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-7+
InChIKeyGLNXDPOIJSNVGU-YRNVUSSQSA-N
MW193.20 g/mol
LogP1.78
Rot. Bonds3

About 2-[(2E)-2-hydroxyiminopropyl]benzoic acid

2-[(2E)-2-hydroxyiminopropyl]benzoic acid (PubChem CID 55250542) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[(2E)-2-hydroxyiminopropyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-hydroxyiminopropyl]benzoic acid
PubChem CID55250542
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-[(2E)-2-hydroxyiminopropyl]benzoic acid
SMILESC/C(Cc1ccccc1C(=O)O)=N\O
InChIInChI=1S/C10H11NO3/c1-7(11-14)6-8-4-2-3-5-9(8)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-7+
InChIKeyGLNXDPOIJSNVGU-YRNVUSSQSA-N
XLogP1.78
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.78
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

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CID 23518478
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2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
CID 10729737
2-[2-(2-acetamidoethylamino)-2-oxoethyl]benzoic acid
CID 112568591
2-[2-(diethylamino)-2-oxoethyl]benzoic acid
CID 115923676
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 562770
ethane;2-(methylsulfanylmethyl)benzoic acid
CID 145108168
(NZ)-N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 5368511
2-(phenylselanylmethyl)benzoic acid
CID 16640973
2-(2-methoxy-2-methylpropyl)benzoic acid
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acetic acid;2-(phenoxymethyl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-hydroxyiminopropyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-hydroxyiminopropyl]benzoic acid (CID 55250542) is 2-[(2E)-2-hydroxyiminopropyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-hydroxyiminopropyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-hydroxyiminopropyl]benzoic acid is C/C(Cc1ccccc1C(=O)O)=N\O.
What is the InChIKey of 2-[(2E)-2-hydroxyiminopropyl]benzoic acid?
The InChIKey is GLNXDPOIJSNVGU-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(11-14)6-8-4-2-3-5-9(8)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-7+.
What are the key properties of 2-[(2E)-2-hydroxyiminopropyl]benzoic acid?
2-[(2E)-2-hydroxyiminopropyl]benzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-hydroxyiminopropyl]benzoic acid is sourced from PubChem (CID 55250542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).