2-(4-methoxyphenyl)iminoacetic acid

C9H9NO3 — CID 21289850

IUPAC2-(4-methoxyphenyl)iminoacetic acid
SMILESCOc1ccc(/N=C/C(=O)O)cc1
InChIInChI=1S/C9H9NO3/c1-13-8-4-2-7(3-5-8)10-6-9(11)12/h2-6H,1H3,(H,11,12)/b10-6+
InChIKeyCPFYJYOLNUAAGT-UXBLZVDNSA-N
MW179.17 g/mol
LogP1.48
Rot. Bonds3

About 2-(4-methoxyphenyl)iminoacetic acid

2-(4-methoxyphenyl)iminoacetic acid (PubChem CID 21289850) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)iminoacetic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)iminoacetic acid
PubChem CID21289850
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-(4-methoxyphenyl)iminoacetic acid
SMILESCOc1ccc(/N=C/C(=O)O)cc1
InChIInChI=1S/C9H9NO3/c1-13-8-4-2-7(3-5-8)10-6-9(11)12/h2-6H,1H3,(H,11,12)/b10-6+
InChIKeyCPFYJYOLNUAAGT-UXBLZVDNSA-N
XLogP1.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)iminoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)iminoacetate
CID 22600240
methyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 135500470
3-amino-2-[(4-methoxyphenyl)iminomethyl]but-2-enoic acid
CID 147710768
tert-butyl 2-(4-methoxyphenyl)iminoacetate
CID 10879093
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 136799679
(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine
CID 14465614
2-naphthalen-2-yliminoacetic acid
CID 154177451
thiophen-2-yl 2-(4-methoxyphenyl)iminoacetate
CID 175095039
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]-3-phenylprop-2-enoate
CID 149163330
4-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoic acid
CID 7584169
ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate
CID 135907083
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)iminoacetic acid?
The IUPAC name of 2-(4-methoxyphenyl)iminoacetic acid (CID 21289850) is 2-(4-methoxyphenyl)iminoacetic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)iminoacetic acid?
The canonical SMILES for 2-(4-methoxyphenyl)iminoacetic acid is COc1ccc(/N=C/C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)iminoacetic acid?
The InChIKey is CPFYJYOLNUAAGT-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-8-4-2-7(3-5-8)10-6-9(11)12/h2-6H,1H3,(H,11,12)/b10-6+.
What are the key properties of 2-(4-methoxyphenyl)iminoacetic acid?
2-(4-methoxyphenyl)iminoacetic acid has a molecular weight of 179.17 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)iminoacetic acid is sourced from PubChem (CID 21289850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).