methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate

C10H17NO4 — CID 141200886

IUPACmethyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate
SMILESCOC(=O)C/N=C(\OC)C1CCOCC1
InChIInChI=1S/C10H17NO4/c1-13-9(12)7-11-10(14-2)8-3-5-15-6-4-8/h8H,3-7H2,1-2H3/b11-10-
InChIKeyVHAHUWUOCNVWOY-KHPPLWFESA-N
MW215.25 g/mol
LogP0.63
Rot. Bonds3

About methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate

methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate (PubChem CID 141200886) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate
PubChem CID141200886
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate
SMILESCOC(=O)C/N=C(\OC)C1CCOCC1
InChIInChI=1S/C10H17NO4/c1-13-9(12)7-11-10(14-2)8-3-5-15-6-4-8/h8H,3-7H2,1-2H3/b11-10-
InChIKeyVHAHUWUOCNVWOY-KHPPLWFESA-N
XLogP0.63
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(Tetrahydro-pyran-4-yl)-eth-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249246
2-[[Methoxy(oxan-4-yl)methylidene]amino]acetic acid
CID 67131842
2-[[Methoxy(oxan-4-yl)methylidene]amino]propanoic acid
CID 69081329
2-[[2-Methoxy-2-(oxan-4-yl)ethylidene]amino]acetic acid
CID 91601524

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate?
The IUPAC name of methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate (CID 141200886) is methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate?
The canonical SMILES for methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate is COC(=O)C/N=C(\OC)C1CCOCC1.
What is the InChIKey of methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate?
The InChIKey is VHAHUWUOCNVWOY-KHPPLWFESA-N. The full InChI is InChI=1S/C10H17NO4/c1-13-9(12)7-11-10(14-2)8-3-5-15-6-4-8/h8H,3-7H2,1-2H3/b11-10-.
What are the key properties of methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate?
methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate has a molecular weight of 215.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methoxy(oxan-4-yl)methylidene]amino]acetate is sourced from PubChem (CID 141200886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).