4-(dimethylamino)-2-ethylbutanoic acid

C8H17NO2 — CID 21128859

IUPAC4-(dimethylamino)-2-ethylbutanoic acid
SMILESCCC(CCN(C)C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-7(8(10)11)5-6-9(2)3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyANSOFTJUGMCXLP-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.05
Rot. Bonds5

About 4-(dimethylamino)-2-ethylbutanoic acid

4-(dimethylamino)-2-ethylbutanoic acid (PubChem CID 21128859) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(dimethylamino)-2-ethylbutanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-ethylbutanoic acid
PubChem CID21128859
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(dimethylamino)-2-ethylbutanoic acid
SMILESCCC(CCN(C)C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-4-7(8(10)11)5-6-9(2)3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyANSOFTJUGMCXLP-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-Methylpiperidine-4-carboxylic acid
CID 2736939
4-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)
CID 2760043
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
4-Carboxy-1,1-Dimethylpiperidin-1-Ium
CID 71385008
4-[Cyclobutylmethyl(dimethyl)azaniumyl]butanoate
CID 90655222
1-Ethylpiperidine-4-carboxylic acid
CID 18783773
1-Propylpiperidine-4-carboxylic acid
CID 16228244
4-(Dimethylamino)-3-methylbutanoic acid hydrochloride
CID 137838643
2-[2-(Diethylamino)ethyl]-3-oxobutanoic acid
CID 20457003

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-ethylbutanoic acid?
The IUPAC name of 4-(dimethylamino)-2-ethylbutanoic acid (CID 21128859) is 4-(dimethylamino)-2-ethylbutanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2-ethylbutanoic acid?
The canonical SMILES for 4-(dimethylamino)-2-ethylbutanoic acid is CCC(CCN(C)C)C(=O)O.
What is the InChIKey of 4-(dimethylamino)-2-ethylbutanoic acid?
The InChIKey is ANSOFTJUGMCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(8(10)11)5-6-9(2)3/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-(dimethylamino)-2-ethylbutanoic acid?
4-(dimethylamino)-2-ethylbutanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-ethylbutanoic acid is sourced from PubChem (CID 21128859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).