methyl 4-aminobutanoate;hydrochloride

C5H12ClNO2 — CID 2756383

IUPACmethyl 4-aminobutanoate;hydrochloride
SMILESCOC(=O)CCCN.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H
InChIKeyWPGPRLVPWACBHW-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.32
Rot. Bonds3

About methyl 4-aminobutanoate;hydrochloride

methyl 4-aminobutanoate;hydrochloride (PubChem CID 2756383) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is methyl 4-aminobutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-aminobutanoate;hydrochloride
PubChem CID2756383
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namemethyl 4-aminobutanoate;hydrochloride
SMILESCOC(=O)CCCN.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H
InChIKeyWPGPRLVPWACBHW-UHFFFAOYSA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.32
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
gamma-Aminobutyric acid ethyl ester
CID 23365
4-Methoxy-4-oxobutan-1-aminium chloride
CID 25623
4-Aminobutyrate ethyl hydrochloride
CID 12649661
Ethyl gamma-aminobutyrate hydrochloride
CID 23364
Propan-2-yl 4-aminobutanoate hydrochloride
CID 12381211
Methyl 4-(methylamino)butanoate hydrochloride
CID 21932544
Butyl 4-aminobutanoate
CID 14697327
Methyl 4-(methylamino)butanoate
CID 14769104
Methyl 4-aminopentanoate hydrochloride
CID 13276185

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminobutanoate;hydrochloride?
The IUPAC name of methyl 4-aminobutanoate;hydrochloride (CID 2756383) is methyl 4-aminobutanoate;hydrochloride.
What is the SMILES notation for methyl 4-aminobutanoate;hydrochloride?
The canonical SMILES for methyl 4-aminobutanoate;hydrochloride is COC(=O)CCCN.Cl.
What is the InChIKey of methyl 4-aminobutanoate;hydrochloride?
The InChIKey is WPGPRLVPWACBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H.
What are the key properties of methyl 4-aminobutanoate;hydrochloride?
methyl 4-aminobutanoate;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminobutanoate;hydrochloride is sourced from PubChem (CID 2756383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).