2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid

C10H11NO4 — CID 28710358

IUPAC2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid
SMILESCOc1ccccc1CNC(=O)C(=O)O
InChIInChI=1S/C10H11NO4/c1-15-8-5-3-2-4-7(8)6-11-9(12)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyZVSHILOFIQLALN-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.40
Rot. Bonds3

About 2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid

2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid (PubChem CID 28710358) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid
PubChem CID28710358
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid
SMILESCOc1ccccc1CNC(=O)C(=O)O
InChIInChI=1S/C10H11NO4/c1-15-8-5-3-2-4-7(8)6-11-9(12)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyZVSHILOFIQLALN-UHFFFAOYSA-N
XLogP0.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid (CID 28710358) is 2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid is COc1ccccc1CNC(=O)C(=O)O.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid?
The InChIKey is ZVSHILOFIQLALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-8-5-3-2-4-7(8)6-11-9(12)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid?
2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]-2-oxoacetic acid is sourced from PubChem (CID 28710358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).