ethanol;ethyl 2-aminoacetate

C6H15NO3 — CID 174720999

IUPACethanol;ethyl 2-aminoacetate
SMILESCCO.CCOC(=O)CN
InChIInChI=1S/C4H9NO2.C2H6O/c1-2-7-4(6)3-5;1-2-3/h2-3,5H2,1H3;3H,2H2,1H3
InChIKeyKJUAHRNOUXURMY-UHFFFAOYSA-N
MW149.19 g/mol
LogP-0.49
Rot. Bonds2

About ethanol;ethyl 2-aminoacetate

ethanol;ethyl 2-aminoacetate (PubChem CID 174720999) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is ethanol;ethyl 2-aminoacetate.

Molecular Properties

Compound Nameethanol;ethyl 2-aminoacetate
PubChem CID174720999
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Nameethanol;ethyl 2-aminoacetate
SMILESCCO.CCOC(=O)CN
InChIInChI=1S/C4H9NO2.C2H6O/c1-2-7-4(6)3-5;1-2-3/h2-3,5H2,1H3;3H,2H2,1H3
InChIKeyKJUAHRNOUXURMY-UHFFFAOYSA-N
XLogP-0.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-aminoacetate
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Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl 2-aminoacetate?
The IUPAC name of ethanol;ethyl 2-aminoacetate (CID 174720999) is ethanol;ethyl 2-aminoacetate.
What is the SMILES notation for ethanol;ethyl 2-aminoacetate?
The canonical SMILES for ethanol;ethyl 2-aminoacetate is CCO.CCOC(=O)CN.
What is the InChIKey of ethanol;ethyl 2-aminoacetate?
The InChIKey is KJUAHRNOUXURMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C2H6O/c1-2-7-4(6)3-5;1-2-3/h2-3,5H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;ethyl 2-aminoacetate?
ethanol;ethyl 2-aminoacetate has a molecular weight of 149.19 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl 2-aminoacetate is sourced from PubChem (CID 174720999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).