4-(dimethylamino)-2,2-dimethylbutanoic acid

C8H17NO2 — CID 65249244

IUPAC4-(dimethylamino)-2,2-dimethylbutanoic acid
SMILESCN(C)CCC(C)(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-8(2,7(10)11)5-6-9(3)4/h5-6H2,1-4H3,(H,10,11)
InChIKeyFWFCNUJGSLCZED-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.05
Rot. Bonds4

About 4-(dimethylamino)-2,2-dimethylbutanoic acid

4-(dimethylamino)-2,2-dimethylbutanoic acid (PubChem CID 65249244) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(dimethylamino)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2,2-dimethylbutanoic acid
PubChem CID65249244
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(dimethylamino)-2,2-dimethylbutanoic acid
SMILESCN(C)CCC(C)(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-8(2,7(10)11)5-6-9(3)4/h5-6H2,1-4H3,(H,10,11)
InChIKeyFWFCNUJGSLCZED-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Carboxypropyl)trimethylammonium chloride
CID 22620
4-Trimethylammoniobutanoate
CID 134
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
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809
4-(Dipropylamino)butanoic acid
CID 13735415
4-(Dimethylamino)-3-methylbutanoic acid hydrochloride
CID 137838643
3-Carboxypropyl(triethyl)azanium
CID 15278121
3-Methyl-4-(trimethylammonio)butanoate
CID 20606311
4-[3-Carboxypropyl(methyl)amino]butanoic acid
CID 20818054

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(dimethylamino)-2,2-dimethylbutanoic acid (CID 65249244) is 4-(dimethylamino)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(dimethylamino)-2,2-dimethylbutanoic acid is CN(C)CCC(C)(C)C(=O)O.
What is the InChIKey of 4-(dimethylamino)-2,2-dimethylbutanoic acid?
The InChIKey is FWFCNUJGSLCZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,7(10)11)5-6-9(3)4/h5-6H2,1-4H3,(H,10,11).
What are the key properties of 4-(dimethylamino)-2,2-dimethylbutanoic acid?
4-(dimethylamino)-2,2-dimethylbutanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65249244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).