methyl 4-aminobutanoate;dihydrochloride

C5H13Cl2NO2 — CID 170991800

IUPACmethyl 4-aminobutanoate;dihydrochloride
SMILESCOC(=O)CCCN.Cl.Cl
InChIInChI=1S/C5H11NO2.2ClH/c1-8-5(7)3-2-4-6;;/h2-4,6H2,1H3;2*1H
InChIKeyNMAQGFXECPTYAA-UHFFFAOYSA-N
MW190.07 g/mol
LogP0.74
Rot. Bonds3

About methyl 4-aminobutanoate;dihydrochloride

methyl 4-aminobutanoate;dihydrochloride (PubChem CID 170991800) has the molecular formula C5H13Cl2NO2 and a molecular weight of 190.07 g/mol. Its IUPAC name is methyl 4-aminobutanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 4-aminobutanoate;dihydrochloride
PubChem CID170991800
Molecular FormulaC5H13Cl2NO2
Molecular Weight190.07 g/mol
Exact Mass189.03
IUPAC Namemethyl 4-aminobutanoate;dihydrochloride
SMILESCOC(=O)CCCN.Cl.Cl
InChIInChI=1S/C5H11NO2.2ClH/c1-8-5(7)3-2-4-6;;/h2-4,6H2,1H3;2*1H
InChIKeyNMAQGFXECPTYAA-UHFFFAOYSA-N
XLogP0.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-aminobutanoate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 11-aminoundecanoate;hydrochloride
CID 12720706
methyl 10-aminodecanoate
CID 10655700
dimethyl pentanedioate;hydrochloride
CID 175168861
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
ethyl 4-aminobutanoate;hydrochloride
CID 12649661
methyl 7-amino-6-oxoheptanoate
CID 86034752
methyl 5-amino-2-oxopentanoate;hydrochloride
CID 140983642
dimethyl hexanedioate;molecular hydrogen
CID 173272620

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminobutanoate;dihydrochloride?
The IUPAC name of methyl 4-aminobutanoate;dihydrochloride (CID 170991800) is methyl 4-aminobutanoate;dihydrochloride.
What is the SMILES notation for methyl 4-aminobutanoate;dihydrochloride?
The canonical SMILES for methyl 4-aminobutanoate;dihydrochloride is COC(=O)CCCN.Cl.Cl.
What is the InChIKey of methyl 4-aminobutanoate;dihydrochloride?
The InChIKey is NMAQGFXECPTYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.2ClH/c1-8-5(7)3-2-4-6;;/h2-4,6H2,1H3;2*1H.
What are the key properties of methyl 4-aminobutanoate;dihydrochloride?
methyl 4-aminobutanoate;dihydrochloride has a molecular weight of 190.07 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminobutanoate;dihydrochloride is sourced from PubChem (CID 170991800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).