ethyl 4-aminobutanoate;ethyl 3-aminopropanoate

C11H24N2O4 — CID 158325611

IUPACethyl 4-aminobutanoate;ethyl 3-aminopropanoate
SMILESCCOC(=O)CCCN.CCOC(=O)CCN
InChIInChI=1S/C6H13NO2.C5H11NO2/c1-2-9-6(8)4-3-5-7;1-2-8-5(7)3-4-6/h2-5,7H2,1H3;2-4,6H2,1H3
InChIKeyGPJGUFMYNLLFLZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.19
Rot. Bonds7

About ethyl 4-aminobutanoate;ethyl 3-aminopropanoate

ethyl 4-aminobutanoate;ethyl 3-aminopropanoate (PubChem CID 158325611) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 4-aminobutanoate;ethyl 3-aminopropanoate.

Molecular Properties

Compound Nameethyl 4-aminobutanoate;ethyl 3-aminopropanoate
PubChem CID158325611
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Nameethyl 4-aminobutanoate;ethyl 3-aminopropanoate
SMILESCCOC(=O)CCCN.CCOC(=O)CCN
InChIInChI=1S/C6H13NO2.C5H11NO2/c1-2-9-6(8)4-3-5-7;1-2-8-5(7)3-4-6/h2-5,7H2,1H3;2-4,6H2,1H3
InChIKeyGPJGUFMYNLLFLZ-UHFFFAOYSA-N
XLogP0.19
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

gamma-Aminobutyric acid ethyl ester
CID 23365
Butyl 4-aminobutanoate
CID 14697327
1-Ethyl-4-aminobutanoate
CID 6993906
4-Aminobutyric acid 2-(4-amino-butyryloxy)-ethyl ester
CID 129826285
1-Fluorobutyl 4-aminobutanoate
CID 87531176
[(2R)-4-ethoxy-4-oxobutan-2-yl]azanium acetate
CID 135056480
Ethyl 3,4-diaminobutanoate;dihydrochloride
CID 170911039
4-(4-Aminobutanoyloxy)butyl 4-aminobutanoate
CID 9878366
2-Methylpropyl 4-aminobutanoate
CID 10329552
Ethyl 4-amino-2-(aminomethyl)butanoate
CID 10725654
Propyl 4-aminobutanoate
CID 14697326
Pentyl 4-aminobutanoate
CID 14697328

Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminobutanoate;ethyl 3-aminopropanoate?
The IUPAC name of ethyl 4-aminobutanoate;ethyl 3-aminopropanoate (CID 158325611) is ethyl 4-aminobutanoate;ethyl 3-aminopropanoate.
What is the SMILES notation for ethyl 4-aminobutanoate;ethyl 3-aminopropanoate?
The canonical SMILES for ethyl 4-aminobutanoate;ethyl 3-aminopropanoate is CCOC(=O)CCCN.CCOC(=O)CCN.
What is the InChIKey of ethyl 4-aminobutanoate;ethyl 3-aminopropanoate?
The InChIKey is GPJGUFMYNLLFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C5H11NO2/c1-2-9-6(8)4-3-5-7;1-2-8-5(7)3-4-6/h2-5,7H2,1H3;2-4,6H2,1H3.
What are the key properties of ethyl 4-aminobutanoate;ethyl 3-aminopropanoate?
ethyl 4-aminobutanoate;ethyl 3-aminopropanoate has a molecular weight of 248.32 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminobutanoate;ethyl 3-aminopropanoate is sourced from PubChem (CID 158325611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).