(2-ethoxy-2-oxoethyl)azanium

C4H10NO2+ — CID 3830239

IUPAC(2-ethoxy-2-oxoethyl)azanium
SMILESCCOC(=O)C[NH3+]
InChIInChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3/p+1
InChIKeyNTNZTEQNFHNYBC-UHFFFAOYSA-O
MW104.13 g/mol
LogP-1.21
Rot. Bonds2

About (2-ethoxy-2-oxoethyl)azanium

(2-ethoxy-2-oxoethyl)azanium (PubChem CID 3830239) has the molecular formula C4H10NO2+ and a molecular weight of 104.13 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)azanium.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)azanium
PubChem CID3830239
Molecular FormulaC4H10NO2+
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name(2-ethoxy-2-oxoethyl)azanium
SMILESCCOC(=O)C[NH3+]
InChIInChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3/p+1
InChIKeyNTNZTEQNFHNYBC-UHFFFAOYSA-O
XLogP-1.21
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)azanium?
The IUPAC name of (2-ethoxy-2-oxoethyl)azanium (CID 3830239) is (2-ethoxy-2-oxoethyl)azanium.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)azanium?
The canonical SMILES for (2-ethoxy-2-oxoethyl)azanium is CCOC(=O)C[NH3+].
What is the InChIKey of (2-ethoxy-2-oxoethyl)azanium?
The InChIKey is NTNZTEQNFHNYBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3/p+1.
What are the key properties of (2-ethoxy-2-oxoethyl)azanium?
(2-ethoxy-2-oxoethyl)azanium has a molecular weight of 104.13 g/mol, XLogP of -1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)azanium is sourced from PubChem (CID 3830239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).