(2-ethoxy-2-oxoethyl)-methylazanium

C5H12NO2+ — CID 6950552

IUPAC(2-ethoxy-2-oxoethyl)-methylazanium
SMILESCCOC(=O)C[NH2+]C
InChIInChI=1S/C5H11NO2/c1-3-8-5(7)4-6-2/h6H,3-4H2,1-2H3/p+1
InChIKeyBTKSUULMJNNXHG-UHFFFAOYSA-O
MW118.16 g/mol
LogP-1.26
Rot. Bonds3

About (2-ethoxy-2-oxoethyl)-methylazanium

(2-ethoxy-2-oxoethyl)-methylazanium (PubChem CID 6950552) has the molecular formula C5H12NO2+ and a molecular weight of 118.16 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-methylazanium.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-methylazanium
PubChem CID6950552
Molecular FormulaC5H12NO2+
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name(2-ethoxy-2-oxoethyl)-methylazanium
SMILESCCOC(=O)C[NH2+]C
InChIInChI=1S/C5H11NO2/c1-3-8-5(7)4-6-2/h6H,3-4H2,1-2H3/p+1
InChIKeyBTKSUULMJNNXHG-UHFFFAOYSA-O
XLogP-1.26
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Glycine, N,N-dimethyl-, ethyl ester
CID 118412
Glycine ethyl ester
CID 12176
Ethyl acetamidoacetate
CID 74702
Ethyl N-methylaminoacetate hydrochloride
CID 171173
Diethyl iminodiacetate
CID 80502
Sarcosine methyl ester
CID 83545
Glycine, N-methyl-, ethyl ester
CID 95849
Ethyl 2-(ethylamino)acetate
CID 12591597
Glycine, N-methyl-, methyl ester, hydrochloride (1:1)
CID 83544
Glycine, N-formyl-, ethyl ester
CID 76615
Dimethyl Iminodiacetate Hydrochloride
CID 2727727
Ethyl 2-(ethoxycarbonylamino)acetate
CID 226277

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)-methylazanium?
The IUPAC name of (2-ethoxy-2-oxoethyl)-methylazanium (CID 6950552) is (2-ethoxy-2-oxoethyl)-methylazanium.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-methylazanium?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-methylazanium is CCOC(=O)C[NH2+]C.
What is the InChIKey of (2-ethoxy-2-oxoethyl)-methylazanium?
The InChIKey is BTKSUULMJNNXHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO2/c1-3-8-5(7)4-6-2/h6H,3-4H2,1-2H3/p+1.
What are the key properties of (2-ethoxy-2-oxoethyl)-methylazanium?
(2-ethoxy-2-oxoethyl)-methylazanium has a molecular weight of 118.16 g/mol, XLogP of -1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-methylazanium is sourced from PubChem (CID 6950552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).