formic acid;1-methoxyethanamine

C4H11NO3 — CID 87579928

IUPACformic acid;1-methoxyethanamine
SMILESCOC(C)N.O=CO
InChIInChI=1S/C3H9NO.CH2O2/c1-3(4)5-2;2-1-3/h3H,4H2,1-2H3;1H,(H,2,3)
InChIKeyDAVYYSMAKJYSGP-UHFFFAOYSA-N
MW121.14 g/mol
LogP-0.36
Rot. Bonds1

About formic acid;1-methoxyethanamine

formic acid;1-methoxyethanamine (PubChem CID 87579928) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is formic acid;1-methoxyethanamine.

Molecular Properties

Compound Nameformic acid;1-methoxyethanamine
PubChem CID87579928
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Nameformic acid;1-methoxyethanamine
SMILESCOC(C)N.O=CO
InChIInChI=1S/C3H9NO.CH2O2/c1-3(4)5-2;2-1-3/h3H,4H2,1-2H3;1H,(H,2,3)
InChIKeyDAVYYSMAKJYSGP-UHFFFAOYSA-N
XLogP-0.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 formic acid;1-methoxyethanamine?
The IUPAC name of formic acid;1-methoxyethanamine (CID 87579928) is formic acid;1-methoxyethanamine.
What is the SMILES notation for formic acid;1-methoxyethanamine?
The canonical SMILES for formic acid;1-methoxyethanamine is COC(C)N.O=CO.
What is the InChIKey of formic acid;1-methoxyethanamine?
The InChIKey is DAVYYSMAKJYSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.CH2O2/c1-3(4)5-2;2-1-3/h3H,4H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;1-methoxyethanamine?
formic acid;1-methoxyethanamine has a molecular weight of 121.14 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methoxyethanamine is sourced from PubChem (CID 87579928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).