methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate

C11H12N2O4 — CID 91584915

IUPACmethyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate
SMILESCOC(=O)C(C)=NC(=O)Nc1ccccc1O
InChIInChI=1S/C11H12N2O4/c1-7(10(15)17-2)12-11(16)13-8-5-3-4-6-9(8)14/h3-6,14H,1-2H3,(H,13,16)
InChIKeyCDONQOFUAIMWAP-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.56
Rot. Bonds2

About methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate

methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate (PubChem CID 91584915) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate
PubChem CID91584915
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Namemethyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate
SMILESCOC(=O)C(C)=NC(=O)Nc1ccccc1O
InChIInChI=1S/C11H12N2O4/c1-7(10(15)17-2)12-11(16)13-8-5-3-4-6-9(8)14/h3-6,14H,1-2H3,(H,13,16)
InChIKeyCDONQOFUAIMWAP-UHFFFAOYSA-N
XLogP1.56
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate?
The IUPAC name of methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate (CID 91584915) is methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate.
What is the SMILES notation for methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate?
The canonical SMILES for methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate is COC(=O)C(C)=NC(=O)Nc1ccccc1O.
What is the InChIKey of methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate?
The InChIKey is CDONQOFUAIMWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-7(10(15)17-2)12-11(16)13-8-5-3-4-6-9(8)14/h3-6,14H,1-2H3,(H,13,16).
What are the key properties of methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate?
methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate has a molecular weight of 236.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate is sourced from PubChem (CID 91584915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).