[methoxymethyl(dimethyl)azaniumyl]formate

C5H11NO3 — CID 87394324

IUPAC[methoxymethyl(dimethyl)azaniumyl]formate
SMILESCOC[N+](C)(C)C(=O)[O-]
InChIInChI=1S/C5H11NO3/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3
InChIKeyNRPSKHPIUKFMTI-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.99
Rot. Bonds2

About [methoxymethyl(dimethyl)azaniumyl]formate

[methoxymethyl(dimethyl)azaniumyl]formate (PubChem CID 87394324) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is [methoxymethyl(dimethyl)azaniumyl]formate.

Molecular Properties

Compound Name[methoxymethyl(dimethyl)azaniumyl]formate
PubChem CID87394324
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name[methoxymethyl(dimethyl)azaniumyl]formate
SMILESCOC[N+](C)(C)C(=O)[O-]
InChIInChI=1S/C5H11NO3/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3
InChIKeyNRPSKHPIUKFMTI-UHFFFAOYSA-N
XLogP-0.99
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methoxymethyl(dimethyl)azaniumyl]formate?
The IUPAC name of [methoxymethyl(dimethyl)azaniumyl]formate (CID 87394324) is [methoxymethyl(dimethyl)azaniumyl]formate.
What is the SMILES notation for [methoxymethyl(dimethyl)azaniumyl]formate?
The canonical SMILES for [methoxymethyl(dimethyl)azaniumyl]formate is COC[N+](C)(C)C(=O)[O-].
What is the InChIKey of [methoxymethyl(dimethyl)azaniumyl]formate?
The InChIKey is NRPSKHPIUKFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3.
What are the key properties of [methoxymethyl(dimethyl)azaniumyl]formate?
[methoxymethyl(dimethyl)azaniumyl]formate has a molecular weight of 133.15 g/mol, XLogP of -0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxymethyl(dimethyl)azaniumyl]formate is sourced from PubChem (CID 87394324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).