methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate

C12H15NO3 — CID 136898417

IUPACmethyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)/N=C/c1ccccc1O
InChIInChI=1S/C12H15NO3/c1-12(2,11(15)16-3)13-8-9-6-4-5-7-10(9)14/h4-8,14H,1-3H3/b13-8+
InChIKeyOQNVMTHCPYZDPW-MDWZMJQESA-N
MW221.26 g/mol
LogP1.76
Rot. Bonds3

About methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate

methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate (PubChem CID 136898417) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
PubChem CID136898417
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)/N=C/c1ccccc1O
InChIInChI=1S/C12H15NO3/c1-12(2,11(15)16-3)13-8-9-6-4-5-7-10(9)14/h4-8,14H,1-3H3/b13-8+
InChIKeyOQNVMTHCPYZDPW-MDWZMJQESA-N
XLogP1.76
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal
CID 136613128
2-(2-methylbutan-2-yliminomethyl)phenol
CID 153389272
2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate
CID 136744013
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
CID 135433741
2-[(E)-trifluoromethyliminomethyl]phenol
CID 177436238
methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
CID 137304074
2-(2-carboxypropan-2-yliminomethyl)phenolate
CID 132595752
dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595463
zinc 2-(methyliminomethyl)phenol
CID 135422153
ethane;2-(methyliminomethyl)phenol
CID 136650397
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate (CID 136898417) is methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate is COC(=O)C(C)(C)/N=C/c1ccccc1O.
What is the InChIKey of methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate?
The InChIKey is OQNVMTHCPYZDPW-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2,11(15)16-3)13-8-9-6-4-5-7-10(9)14/h4-8,14H,1-3H3/b13-8+.
What are the key properties of methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate?
methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate has a molecular weight of 221.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate is sourced from PubChem (CID 136898417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).