4-(dimethylamino)butanoic acid;hydrochloride

C6H14ClNO2 — CID 12691640

IUPAC4-(dimethylamino)butanoic acid;hydrochloride
SMILESCN(C)CCCC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
InChIKeyRDTALXUBMCLWBB-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.83
Rot. Bonds4

About 4-(dimethylamino)butanoic acid;hydrochloride

4-(dimethylamino)butanoic acid;hydrochloride (PubChem CID 12691640) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 4-(dimethylamino)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)butanoic acid;hydrochloride
PubChem CID12691640
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name4-(dimethylamino)butanoic acid;hydrochloride
SMILESCN(C)CCCC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
InChIKeyRDTALXUBMCLWBB-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(dimethylamino)butanoic acid;hydrochloride 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

Gamma-Butyrobetaine
CID 725
(3-Carboxypropyl)trimethylammonium chloride
CID 22620
4-Trimethylammoniobutanoate
CID 134
3-Carboxy-N-(2-Fluoroethyl)-N,N-Dimethylpropan-1-Aminium
CID 70673858
3-carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium chloride
CID 70673857
Butyric acid, 4-(diethylamino)-
CID 44844
4-(Dimethylamino)butyric acid
CID 239820
4-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Methylamino)butyric acid hydrochloride
CID 12626654
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539
4-(1-Methylpyrrolidin-1-ium-1-yl)butanoic acid chloride
CID 90655224
4-[(Chloromethyl)(dimethyl)ammonio]butanoate
CID 66575659

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butanoic acid;hydrochloride?
The IUPAC name of 4-(dimethylamino)butanoic acid;hydrochloride (CID 12691640) is 4-(dimethylamino)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)butanoic acid;hydrochloride?
The canonical SMILES for 4-(dimethylamino)butanoic acid;hydrochloride is CN(C)CCCC(=O)O.Cl.
What is the InChIKey of 4-(dimethylamino)butanoic acid;hydrochloride?
The InChIKey is RDTALXUBMCLWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H.
What are the key properties of 4-(dimethylamino)butanoic acid;hydrochloride?
4-(dimethylamino)butanoic acid;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butanoic acid;hydrochloride is sourced from PubChem (CID 12691640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).