methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate

C10H12N2O3 — CID 170602546

IUPACmethyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
SMILES[H]/N=C(\C(=O)OC)c1cc(OC)ccc1N
InChIInChI=1S/C10H12N2O3/c1-14-6-3-4-8(11)7(5-6)9(12)10(13)15-2/h3-5,12H,11H2,1-2H3/b12-9-
InChIKeyFOILEMNRNYHGPU-XFXZXTDPSA-N
MW208.22 g/mol
LogP0.82
Rot. Bonds3

About methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate

methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate (PubChem CID 170602546) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
PubChem CID170602546
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
SMILES[H]/N=C(\C(=O)OC)c1cc(OC)ccc1N
InChIInChI=1S/C10H12N2O3/c1-14-6-3-4-8(11)7(5-6)9(12)10(13)15-2/h3-5,12H,11H2,1-2H3/b12-9-
InChIKeyFOILEMNRNYHGPU-XFXZXTDPSA-N
XLogP0.82
TPSA85.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-methoxybenzoate
CID 13052275
2-(2-amino-4-methoxyphenyl)-2-iminoacetic acid
CID 178117421
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
2-amino-5-methoxybenzamide;ethane
CID 142071126
methyl (Z)-2-(2-amino-5-methoxyphenyl)-3-(2-methylprop-2-enoxy)but-2-enoate
CID 163670653
1-(2-amino-5-methoxyphenyl)-3-methylbutan-1-one
CID 83987880
ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate
CID 143359554
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate?
The IUPAC name of methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate (CID 170602546) is methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate.
What is the SMILES notation for methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate?
The canonical SMILES for methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate is [H]/N=C(\C(=O)OC)c1cc(OC)ccc1N.
What is the InChIKey of methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate?
The InChIKey is FOILEMNRNYHGPU-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-14-6-3-4-8(11)7(5-6)9(12)10(13)15-2/h3-5,12H,11H2,1-2H3/b12-9-.
What are the key properties of methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate?
methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate has a molecular weight of 208.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate is sourced from PubChem (CID 170602546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).