2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid

C11H11NO6 — CID 162651095

IUPAC2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid
SMILESO=C(O)CO/N=C/c1ccccc1OCC(=O)O
InChIInChI=1S/C11H11NO6/c13-10(14)6-17-9-4-2-1-3-8(9)5-12-18-7-11(15)16/h1-5H,6-7H2,(H,13,14)(H,15,16)/b12-5+
InChIKeySGDZQLVWOKBYPO-LFYBBSHMSA-N
MW253.21 g/mol
LogP0.59
Rot. Bonds7

About 2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid

2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid (PubChem CID 162651095) has the molecular formula C11H11NO6 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid
PubChem CID162651095
Molecular FormulaC11H11NO6
Molecular Weight253.21 g/mol
Exact Mass253.06
IUPAC Name2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid
SMILESO=C(O)CO/N=C/c1ccccc1OCC(=O)O
InChIInChI=1S/C11H11NO6/c13-10(14)6-17-9-4-2-1-3-8(9)5-12-18-7-11(15)16/h1-5H,6-7H2,(H,13,14)(H,15,16)/b12-5+
InChIKeySGDZQLVWOKBYPO-LFYBBSHMSA-N
XLogP0.59
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylphenoxy)acetic acid
CID 74651
2-(2-Allylphenoxy)acetic acid
CID 246764
2-(2-Ethylphenoxy)acetic acid
CID 348579
(E)-2-(allyloxy)benzaldehyde oxime
CID 6867701
2-(2-Cyanophenoxy)acetic acid
CID 2064021
3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid
CID 44129627
ethyl {2-[(Z)-2-nitrovinyl]phenoxy}acetate
CID 5286552
{4-Bromo-2-[(hydroxyimino)methyl]phenoxy}acetic acid
CID 6894601
{2-Bromo-4-[(hydroxyimino)methyl]phenoxy}acetic acid
CID 6894595
2-Phenoxybenzenecarbaldehyde oxime
CID 9581589
Acetic acid, 2-(2-methylphenoxy)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
CID 124292
N-[(2-ethoxyphenyl)methylidene]hydroxylamine
CID 6891505

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid (CID 162651095) is 2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid is O=C(O)CO/N=C/c1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid?
The InChIKey is SGDZQLVWOKBYPO-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H11NO6/c13-10(14)6-17-9-4-2-1-3-8(9)5-12-18-7-11(15)16/h1-5H,6-7H2,(H,13,14)(H,15,16)/b12-5+.
What are the key properties of 2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid?
2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid has a molecular weight of 253.21 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-carboxymethoxyiminomethyl]phenoxy]acetic acid is sourced from PubChem (CID 162651095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).