ethyl 4-aminobutanoate

C6H13NO2 — CID 23365

IUPACethyl 4-aminobutanoate
SMILESCCOC(=O)CCCN
InChIInChI=1S/C6H13NO2/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3
InChIKeyMAFQLJCYFMKEJJ-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.29
Rot. Bonds4

About ethyl 4-aminobutanoate

ethyl 4-aminobutanoate (PubChem CID 23365) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is ethyl 4-aminobutanoate.

Molecular Properties

Compound Nameethyl 4-aminobutanoate
PubChem CID23365
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameethyl 4-aminobutanoate
SMILESCCOC(=O)CCCN
InChIInChI=1S/C6H13NO2/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3
InChIKeyMAFQLJCYFMKEJJ-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ammoniobutanoate
CID 6992099
Methyl 4-aminobutanoate
CID 18614
gamma-Aminobutyrate
CID 5460232
4-Methoxy-4-oxobutan-1-aminium chloride
CID 25623
4-Aminobutyrate ethyl hydrochloride
CID 12649661
Ethyl gamma-aminobutyrate hydrochloride
CID 23364
4-Aminobutyric acid methyl ester hydrochloride
CID 2756383
Propan-2-yl 4-aminobutanoate hydrochloride
CID 12381211
Butyl 4-aminobutanoate
CID 14697327
Methyl 4-(methylamino)butanoate
CID 14769104
Methyl 4-amino-2-methylbutanoate hydrochloride
CID 14435432
Methyl 4-amino-3-methylbutanoate hydrochloride
CID 87219478

Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminobutanoate?
The IUPAC name of ethyl 4-aminobutanoate (CID 23365) is ethyl 4-aminobutanoate.
What is the SMILES notation for ethyl 4-aminobutanoate?
The canonical SMILES for ethyl 4-aminobutanoate is CCOC(=O)CCCN.
What is the InChIKey of ethyl 4-aminobutanoate?
The InChIKey is MAFQLJCYFMKEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3.
What are the key properties of ethyl 4-aminobutanoate?
ethyl 4-aminobutanoate has a molecular weight of 131.18 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminobutanoate is sourced from PubChem (CID 23365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).