methyl 2-[(2-methoxyphenyl)methylideneamino]acetate

C11H13NO3 — CID 4863442

IUPACmethyl 2-[(2-methoxyphenyl)methylideneamino]acetate
SMILESCOC(=O)C/N=C/c1ccccc1OC
InChIInChI=1S/C11H13NO3/c1-14-10-6-4-3-5-9(10)7-12-8-11(13)15-2/h3-7H,8H2,1-2H3/b12-7+
InChIKeyDLILIXZHFZZEJZ-KPKJPENVSA-N
MW207.23 g/mol
LogP1.29
Rot. Bonds4

About methyl 2-[(2-methoxyphenyl)methylideneamino]acetate

methyl 2-[(2-methoxyphenyl)methylideneamino]acetate (PubChem CID 4863442) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-[(2-methoxyphenyl)methylideneamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxyphenyl)methylideneamino]acetate
PubChem CID4863442
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-[(2-methoxyphenyl)methylideneamino]acetate
SMILESCOC(=O)C/N=C/c1ccccc1OC
InChIInChI=1S/C11H13NO3/c1-14-10-6-4-3-5-9(10)7-12-8-11(13)15-2/h3-7H,8H2,1-2H3/b12-7+
InChIKeyDLILIXZHFZZEJZ-KPKJPENVSA-N
XLogP1.29
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxyphenyl)methylideneamino]acetate?
The IUPAC name of methyl 2-[(2-methoxyphenyl)methylideneamino]acetate (CID 4863442) is methyl 2-[(2-methoxyphenyl)methylideneamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxyphenyl)methylideneamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxyphenyl)methylideneamino]acetate is COC(=O)C/N=C/c1ccccc1OC.
What is the InChIKey of methyl 2-[(2-methoxyphenyl)methylideneamino]acetate?
The InChIKey is DLILIXZHFZZEJZ-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-10-6-4-3-5-9(10)7-12-8-11(13)15-2/h3-7H,8H2,1-2H3/b12-7+.
What are the key properties of methyl 2-[(2-methoxyphenyl)methylideneamino]acetate?
methyl 2-[(2-methoxyphenyl)methylideneamino]acetate has a molecular weight of 207.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxyphenyl)methylideneamino]acetate is sourced from PubChem (CID 4863442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).