2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid

C9H10N2O3 — CID 178117421

IUPAC2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)c1ccc(OC)cc1N
InChIInChI=1S/C9H10N2O3/c1-14-5-2-3-6(7(10)4-5)8(11)9(12)13/h2-4,11H,10H2,1H3,(H,12,13)/b11-8-
InChIKeyVTQLDSJVSUABOK-FLIBITNWSA-N
MW194.19 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid

2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid (PubChem CID 178117421) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid.

Molecular Properties

Compound Name2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid
PubChem CID178117421
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)c1ccc(OC)cc1N
InChIInChI=1S/C9H10N2O3/c1-14-5-2-3-6(7(10)4-5)8(11)9(12)13/h2-4,11H,10H2,1H3,(H,12,13)/b11-8-
InChIKeyVTQLDSJVSUABOK-FLIBITNWSA-N
XLogP0.73
TPSA96.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methoxyphenyl)-1-(3,4-dimethylpiperazin-1-yl)-2-iminoethanone
CID 89010099
methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
CID 170602546
2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
CID 45117929
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
(E)-2-amino-1-(2-amino-4-methoxyphenyl)-3-hydroxyprop-2-en-1-one
CID 156713473
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
2-amino-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 82721345
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
CID 116602267

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid?
The IUPAC name of 2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid (CID 178117421) is 2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid.
What is the SMILES notation for 2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid?
The canonical SMILES for 2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid is [H]/N=C(\C(=O)O)c1ccc(OC)cc1N.
What is the InChIKey of 2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid?
The InChIKey is VTQLDSJVSUABOK-FLIBITNWSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-5-2-3-6(7(10)4-5)8(11)9(12)13/h2-4,11H,10H2,1H3,(H,12,13)/b11-8-.
What are the key properties of 2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid?
2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid is sourced from PubChem (CID 178117421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).