2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid

C10H17NO4 — CID 69081329

IUPAC2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid
SMILESCO/C(=N\C(C)C(=O)O)C1CCOCC1
InChIInChI=1S/C10H17NO4/c1-7(10(12)13)11-9(14-2)8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3,(H,12,13)/b11-9-
InChIKeyILMJVZGCMWCFHF-LUAWRHEFSA-N
MW215.25 g/mol
LogP0.93
Rot. Bonds3

About 2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid

2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid (PubChem CID 69081329) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid.

Molecular Properties

Compound Name2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid
PubChem CID69081329
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid
SMILESCO/C(=N\C(C)C(=O)O)C1CCOCC1
InChIInChI=1S/C10H17NO4/c1-7(10(12)13)11-9(14-2)8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3,(H,12,13)/b11-9-
InChIKeyILMJVZGCMWCFHF-LUAWRHEFSA-N
XLogP0.93
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid?
The IUPAC name of 2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid (CID 69081329) is 2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid.
What is the SMILES notation for 2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid?
The canonical SMILES for 2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid is CO/C(=N\C(C)C(=O)O)C1CCOCC1.
What is the InChIKey of 2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid?
The InChIKey is ILMJVZGCMWCFHF-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(10(12)13)11-9(14-2)8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3,(H,12,13)/b11-9-.
What are the key properties of 2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid?
2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methoxy(oxan-4-yl)methylidene]amino]propanoic acid is sourced from PubChem (CID 69081329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).