methyl 2-imino-3-(2-methylphenyl)propanoate

C11H13NO2 — CID 142044650

IUPACmethyl 2-imino-3-(2-methylphenyl)propanoate
SMILES[H]/N=C(/Cc1ccccc1C)C(=O)OC
InChIInChI=1S/C11H13NO2/c1-8-5-3-4-6-9(8)7-10(12)11(13)14-2/h3-6,12H,7H2,1-2H3/b12-10-
InChIKeyMHGIUBYXNISKKZ-BENRWUELSA-N
MW191.23 g/mol
LogP1.73
Rot. Bonds3

About methyl 2-imino-3-(2-methylphenyl)propanoate

methyl 2-imino-3-(2-methylphenyl)propanoate (PubChem CID 142044650) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-imino-3-(2-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-imino-3-(2-methylphenyl)propanoate
PubChem CID142044650
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 2-imino-3-(2-methylphenyl)propanoate
SMILES[H]/N=C(/Cc1ccccc1C)C(=O)OC
InChIInChI=1S/C11H13NO2/c1-8-5-3-4-6-9(8)7-10(12)11(13)14-2/h3-6,12H,7H2,1-2H3/b12-10-
InChIKeyMHGIUBYXNISKKZ-BENRWUELSA-N
XLogP1.73
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-(2-methylphenyl)acetic acid
CID 67440217
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
methyl 3-[(2-methylphenyl)methyl]but-3-enoate
CID 117268934
N,N-dimethyl-2-(2-methylphenyl)ethanimidamide
CID 63179558
methyl 2-(2-bromophenyl)ethanimidate
CID 62830195
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
(E)-1-(2-methylphenyl)hex-3-en-2-one
CID 103454249
N'-[2-(4-methoxyphenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163562
(E)-3-(2-ethyl-5-fluorophenyl)-1-(2-methylphenyl)pent-3-en-2-imine
CID 163747705
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464

Frequently Asked Questions

What is the IUPAC name of methyl 2-imino-3-(2-methylphenyl)propanoate?
The IUPAC name of methyl 2-imino-3-(2-methylphenyl)propanoate (CID 142044650) is methyl 2-imino-3-(2-methylphenyl)propanoate.
What is the SMILES notation for methyl 2-imino-3-(2-methylphenyl)propanoate?
The canonical SMILES for methyl 2-imino-3-(2-methylphenyl)propanoate is [H]/N=C(/Cc1ccccc1C)C(=O)OC.
What is the InChIKey of methyl 2-imino-3-(2-methylphenyl)propanoate?
The InChIKey is MHGIUBYXNISKKZ-BENRWUELSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-5-3-4-6-9(8)7-10(12)11(13)14-2/h3-6,12H,7H2,1-2H3/b12-10-.
What are the key properties of methyl 2-imino-3-(2-methylphenyl)propanoate?
methyl 2-imino-3-(2-methylphenyl)propanoate has a molecular weight of 191.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imino-3-(2-methylphenyl)propanoate is sourced from PubChem (CID 142044650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).