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

C9H15NO4 — CID 67131842

IUPAC2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid
SMILESCO/C(=N\CC(=O)O)C1CCOCC1
InChIInChI=1S/C9H15NO4/c1-13-9(10-6-8(11)12)7-2-4-14-5-3-7/h7H,2-6H2,1H3,(H,11,12)/b10-9-
InChIKeyXVWJQYPZSRJVPA-KTKRTIGZSA-N
MW201.22 g/mol
LogP0.54
Rot. Bonds3

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

2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid (PubChem CID 67131842) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid
PubChem CID67131842
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid
SMILESCO/C(=N\CC(=O)O)C1CCOCC1
InChIInChI=1S/C9H15NO4/c1-13-9(10-6-8(11)12)7-2-4-14-5-3-7/h7H,2-6H2,1H3,(H,11,12)/b10-9-
InChIKeyXVWJQYPZSRJVPA-KTKRTIGZSA-N
XLogP0.54
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.54
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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Related Compounds

2-(Oxan-4-ylmethylideneamino)acetic acid
CID 68818003
2-[[Methoxy(oxan-4-yl)methylidene]amino]propanoic acid
CID 69081329
2-[[2-Methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid
CID 91601524
Methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate
CID 141200886

Frequently Asked Questions

What is the IUPAC name of 2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid?
The IUPAC name of 2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid (CID 67131842) is 2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid.
What is the SMILES notation for 2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid?
The canonical SMILES for 2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid is CO/C(=N\CC(=O)O)C1CCOCC1.
What is the InChIKey of 2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid?
The InChIKey is XVWJQYPZSRJVPA-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H15NO4/c1-13-9(10-6-8(11)12)7-2-4-14-5-3-7/h7H,2-6H2,1H3,(H,11,12)/b10-9-.
What are the key properties of 2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid?
2-[[methoxy(oxan-4-yl)methylidene]amino]acetic acid has a molecular weight of 201.22 g/mol, XLogP of 0.54, 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]acetic acid is sourced from PubChem (CID 67131842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).