2-(diethylamino)butanoic acid;hydrochloride

C8H18ClNO2 — CID 54594122

IUPAC2-(diethylamino)butanoic acid;hydrochloride
SMILESCCC(C(=O)O)N(CC)CC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-7(8(10)11)9(5-2)6-3;/h7H,4-6H2,1-3H3,(H,10,11);1H
InChIKeyLKVZCYZTPHWNIA-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.61
Rot. Bonds5

About 2-(diethylamino)butanoic acid;hydrochloride

2-(diethylamino)butanoic acid;hydrochloride (PubChem CID 54594122) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-(diethylamino)butanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)butanoic acid;hydrochloride
PubChem CID54594122
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name2-(diethylamino)butanoic acid;hydrochloride
SMILESCCC(C(=O)O)N(CC)CC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-7(8(10)11)9(5-2)6-3;/h7H,4-6H2,1-3H3,(H,10,11);1H
InChIKeyLKVZCYZTPHWNIA-UHFFFAOYSA-N
XLogP1.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 22885074
N,N-Dipropyl-L-alanine
CID 14274716
(2R)-2-(diethylamino)propanoic acid
CID 15115621
(2S)-2-(dimethylamino)butanoic acid
CID 25758183
2-(Dimethylamino)butanoic acid hydrochloride
CID 71756398
(2R)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 92534057
N-(Carboxymethyl)-N,N-dimethylpropan-2-aminium chloride
CID 44366697
2-(Diethylamino)butanoic acid
CID 23290221
(2R)-2-(dimethylamino)pentanoic acid hydrochloride
CID 155821050
(2S)-2-(dimethylamino)pentanoic acid hydrochloride
CID 155822038
(2S)-2,4-bis(dimethylamino)butanoic acid dihydrochloride
CID 165940860
Dimethyl selenomethionine
CID 129660544

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)butanoic acid;hydrochloride?
The IUPAC name of 2-(diethylamino)butanoic acid;hydrochloride (CID 54594122) is 2-(diethylamino)butanoic acid;hydrochloride.
What is the SMILES notation for 2-(diethylamino)butanoic acid;hydrochloride?
The canonical SMILES for 2-(diethylamino)butanoic acid;hydrochloride is CCC(C(=O)O)N(CC)CC.Cl.
What is the InChIKey of 2-(diethylamino)butanoic acid;hydrochloride?
The InChIKey is LKVZCYZTPHWNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-4-7(8(10)11)9(5-2)6-3;/h7H,4-6H2,1-3H3,(H,10,11);1H.
What are the key properties of 2-(diethylamino)butanoic acid;hydrochloride?
2-(diethylamino)butanoic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)butanoic acid;hydrochloride is sourced from PubChem (CID 54594122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).