4-(dimethylamino)butanoic acid;dihydrochloride

C6H15Cl2NO2 — CID 87681615

IUPAC4-(dimethylamino)butanoic acid;dihydrochloride
SMILESCN(C)CCCC(=O)O.Cl.Cl
InChIInChI=1S/C6H13NO2.2ClH/c1-7(2)5-3-4-6(8)9;;/h3-5H2,1-2H3,(H,8,9);2*1H
InChIKeyAPNKVSOLAKJBNP-UHFFFAOYSA-N
MW204.10 g/mol
LogP1.26
Rot. Bonds4

About 4-(dimethylamino)butanoic acid;dihydrochloride

4-(dimethylamino)butanoic acid;dihydrochloride (PubChem CID 87681615) has the molecular formula C6H15Cl2NO2 and a molecular weight of 204.10 g/mol. Its IUPAC name is 4-(dimethylamino)butanoic acid;dihydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)butanoic acid;dihydrochloride
PubChem CID87681615
Molecular FormulaC6H15Cl2NO2
Molecular Weight204.10 g/mol
Exact Mass203.05
IUPAC Name4-(dimethylamino)butanoic acid;dihydrochloride
SMILESCN(C)CCCC(=O)O.Cl.Cl
InChIInChI=1S/C6H13NO2.2ClH/c1-7(2)5-3-4-6(8)9;;/h3-5H2,1-2H3,(H,8,9);2*1H
InChIKeyAPNKVSOLAKJBNP-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Gamma-Butyrobetaine
CID 725
4-Trimethylammoniobutanoate
CID 134
(3-Carboxypropyl)trimethylammonium chloride
CID 22620
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
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-(Diethylamino)butanoic acid hydrochloride
CID 13795539
4-[(Chloromethyl)(dimethyl)ammonio]butanoate
CID 66575659
3-Carboxy-N,N,N-trimethyl-1-propanaminium chloride
CID 71314459
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butanoic acid;dihydrochloride?
The IUPAC name of 4-(dimethylamino)butanoic acid;dihydrochloride (CID 87681615) is 4-(dimethylamino)butanoic acid;dihydrochloride.
What is the SMILES notation for 4-(dimethylamino)butanoic acid;dihydrochloride?
The canonical SMILES for 4-(dimethylamino)butanoic acid;dihydrochloride is CN(C)CCCC(=O)O.Cl.Cl.
What is the InChIKey of 4-(dimethylamino)butanoic acid;dihydrochloride?
The InChIKey is APNKVSOLAKJBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.2ClH/c1-7(2)5-3-4-6(8)9;;/h3-5H2,1-2H3,(H,8,9);2*1H.
What are the key properties of 4-(dimethylamino)butanoic acid;dihydrochloride?
4-(dimethylamino)butanoic acid;dihydrochloride has a molecular weight of 204.10 g/mol, XLogP of 1.26, 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;dihydrochloride is sourced from PubChem (CID 87681615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).