ethyl 4-aminobutanoate;hydrochloride

C6H14ClNO2 — CID 12649661

IUPACethyl 4-aminobutanoate;hydrochloride
SMILESCCOC(=O)CCCN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-2-9-6(8)4-3-5-7;/h2-5,7H2,1H3;1H
InChIKeyCXVQSUBJMYZELD-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.71
Rot. Bonds4

About ethyl 4-aminobutanoate;hydrochloride

ethyl 4-aminobutanoate;hydrochloride (PubChem CID 12649661) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is ethyl 4-aminobutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-aminobutanoate;hydrochloride
PubChem CID12649661
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Nameethyl 4-aminobutanoate;hydrochloride
SMILESCCOC(=O)CCCN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-2-9-6(8)4-3-5-7;/h2-5,7H2,1H3;1H
InChIKeyCXVQSUBJMYZELD-UHFFFAOYSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-aminobutanoate
CID 18614
gamma-Aminobutyric acid ethyl ester
CID 23365
4-Methoxy-4-oxobutan-1-aminium chloride
CID 25623
Ethyl gamma-aminobutyrate hydrochloride
CID 23364
4-Aminobutyric acid methyl ester hydrochloride
CID 2756383
Propan-2-yl 4-aminobutanoate hydrochloride
CID 12381211
Methyl 4-(methylamino)butanoate hydrochloride
CID 21932544
Butyl 4-aminobutanoate
CID 14697327
Methyl 4-amino-2-methylbutanoate hydrochloride
CID 14435432
Methyl 4-amino-3-methylbutanoate hydrochloride
CID 87219478
methyl(3R)-4-amino-3-methylbutanoatehydrochloride
CID 142695629
Ethyl 4-aminopentanoate hydrochloride
CID 14220288

Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminobutanoate;hydrochloride?
The IUPAC name of ethyl 4-aminobutanoate;hydrochloride (CID 12649661) is ethyl 4-aminobutanoate;hydrochloride.
What is the SMILES notation for ethyl 4-aminobutanoate;hydrochloride?
The canonical SMILES for ethyl 4-aminobutanoate;hydrochloride is CCOC(=O)CCCN.Cl.
What is the InChIKey of ethyl 4-aminobutanoate;hydrochloride?
The InChIKey is CXVQSUBJMYZELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-2-9-6(8)4-3-5-7;/h2-5,7H2,1H3;1H.
What are the key properties of ethyl 4-aminobutanoate;hydrochloride?
ethyl 4-aminobutanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminobutanoate;hydrochloride is sourced from PubChem (CID 12649661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).