4-(dimethylamino)butanoate

C6H12NO2- — CID 22388951

IUPAC4-(dimethylamino)butanoate
SMILESCN(C)CCCC(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-7(2)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyOXOWTLDONRGYOT-UHFFFAOYSA-M
MW130.17 g/mol
LogP-0.92
Rot. Bonds4

About 4-(dimethylamino)butanoate

4-(dimethylamino)butanoate (PubChem CID 22388951) has the molecular formula C6H12NO2- and a molecular weight of 130.17 g/mol. Its IUPAC name is 4-(dimethylamino)butanoate.

Molecular Properties

Compound Name4-(dimethylamino)butanoate
PubChem CID22388951
Molecular FormulaC6H12NO2-
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name4-(dimethylamino)butanoate
SMILESCN(C)CCCC(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-7(2)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyOXOWTLDONRGYOT-UHFFFAOYSA-M
XLogP-0.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Gamma-Butyrobetaine
CID 725
(3-Carboxypropyl)trimethylammonium chloride
CID 22620
4-Trimethylammoniobutanoate
CID 134
Carpronium Chloride
CID 25804
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
Carpronium
CID 2582
Butanoic acid, 4-(dimethylamino)-, methyl ester
CID 210997
4-(Dimethylamino)butyric acid
CID 239820
4-[Ethyl(dimethyl)ammonio]butanoate
CID 51347808
4-[Dimethyl(propan-2-yl)azaniumyl]butanoate
CID 90655229
4-[Dimethyl(prop-2-ynyl)azaniumyl]butanoate
CID 90655231
4-[(Chloromethyl)(dimethyl)ammonio]butanoate
CID 66575659

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butanoate?
The IUPAC name of 4-(dimethylamino)butanoate (CID 22388951) is 4-(dimethylamino)butanoate.
What is the SMILES notation for 4-(dimethylamino)butanoate?
The canonical SMILES for 4-(dimethylamino)butanoate is CN(C)CCCC(=O)[O-].
What is the InChIKey of 4-(dimethylamino)butanoate?
The InChIKey is OXOWTLDONRGYOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2/c1-7(2)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 4-(dimethylamino)butanoate?
4-(dimethylamino)butanoate has a molecular weight of 130.17 g/mol, XLogP of -0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butanoate is sourced from PubChem (CID 22388951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).