(ethyl-methoxy-methylazaniumyl)formate

C5H11NO3 — CID 19024131

IUPAC(ethyl-methoxy-methylazaniumyl)formate
SMILESCC[N+](C)(OC)C(=O)[O-]
InChIInChI=1S/C5H11NO3/c1-4-6(2,9-3)5(7)8/h4H2,1-3H3
InChIKeyNYYZHCQIEPJBTG-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.64
Rot. Bonds2

About (ethyl-methoxy-methylazaniumyl)formate

(ethyl-methoxy-methylazaniumyl)formate (PubChem CID 19024131) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (ethyl-methoxy-methylazaniumyl)formate.

Molecular Properties

Compound Name(ethyl-methoxy-methylazaniumyl)formate
PubChem CID19024131
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(ethyl-methoxy-methylazaniumyl)formate
SMILESCC[N+](C)(OC)C(=O)[O-]
InChIInChI=1S/C5H11NO3/c1-4-6(2,9-3)5(7)8/h4H2,1-3H3
InChIKeyNYYZHCQIEPJBTG-UHFFFAOYSA-N
XLogP-0.64
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 ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (ethyl-methoxy-methylazaniumyl)formate?
The IUPAC name of (ethyl-methoxy-methylazaniumyl)formate (CID 19024131) is (ethyl-methoxy-methylazaniumyl)formate.
What is the SMILES notation for (ethyl-methoxy-methylazaniumyl)formate?
The canonical SMILES for (ethyl-methoxy-methylazaniumyl)formate is CC[N+](C)(OC)C(=O)[O-].
What is the InChIKey of (ethyl-methoxy-methylazaniumyl)formate?
The InChIKey is NYYZHCQIEPJBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4-6(2,9-3)5(7)8/h4H2,1-3H3.
What are the key properties of (ethyl-methoxy-methylazaniumyl)formate?
(ethyl-methoxy-methylazaniumyl)formate has a molecular weight of 133.15 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethyl-methoxy-methylazaniumyl)formate is sourced from PubChem (CID 19024131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).