3-(methylaminomethoxy)-3-oxopropanoate

C5H8NO4- — CID 59283321

IUPAC3-(methylaminomethoxy)-3-oxopropanoate
SMILESCNCOC(=O)CC(=O)[O-]
InChIInChI=1S/C5H9NO4/c1-6-3-10-5(9)2-4(7)8/h6H,2-3H2,1H3,(H,7,8)/p-1
InChIKeyBTAZLQIBHYDNAQ-UHFFFAOYSA-M
MW146.12 g/mol
LogP-2.15
Rot. Bonds4

About 3-(methylaminomethoxy)-3-oxopropanoate

3-(methylaminomethoxy)-3-oxopropanoate (PubChem CID 59283321) has the molecular formula C5H8NO4- and a molecular weight of 146.12 g/mol. Its IUPAC name is 3-(methylaminomethoxy)-3-oxopropanoate.

Molecular Properties

Compound Name3-(methylaminomethoxy)-3-oxopropanoate
PubChem CID59283321
Molecular FormulaC5H8NO4-
Molecular Weight146.12 g/mol
Exact Mass146.05
IUPAC Name3-(methylaminomethoxy)-3-oxopropanoate
SMILESCNCOC(=O)CC(=O)[O-]
InChIInChI=1S/C5H9NO4/c1-6-3-10-5(9)2-4(7)8/h6H,2-3H2,1H3,(H,7,8)/p-1
InChIKeyBTAZLQIBHYDNAQ-UHFFFAOYSA-M
XLogP-2.15
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethoxy)-3-oxopropanoate?
The IUPAC name of 3-(methylaminomethoxy)-3-oxopropanoate (CID 59283321) is 3-(methylaminomethoxy)-3-oxopropanoate.
What is the SMILES notation for 3-(methylaminomethoxy)-3-oxopropanoate?
The canonical SMILES for 3-(methylaminomethoxy)-3-oxopropanoate is CNCOC(=O)CC(=O)[O-].
What is the InChIKey of 3-(methylaminomethoxy)-3-oxopropanoate?
The InChIKey is BTAZLQIBHYDNAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO4/c1-6-3-10-5(9)2-4(7)8/h6H,2-3H2,1H3,(H,7,8)/p-1.
What are the key properties of 3-(methylaminomethoxy)-3-oxopropanoate?
3-(methylaminomethoxy)-3-oxopropanoate has a molecular weight of 146.12 g/mol, XLogP of -2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethoxy)-3-oxopropanoate is sourced from PubChem (CID 59283321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).