acetic acid;4-(diethylamino)butanoic acid

C10H21NO4 — CID 175877215

IUPACacetic acid;4-(diethylamino)butanoic acid
SMILESCC(=O)O.CCN(CC)CCCC(=O)O
InChIInChI=1S/C8H17NO2.C2H4O2/c1-3-9(4-2)7-5-6-8(10)11;1-2(3)4/h3-7H2,1-2H3,(H,10,11);1H3,(H,3,4)
InChIKeyGUISUUCULXFWAK-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.28
Rot. Bonds6

About acetic acid;4-(diethylamino)butanoic acid

acetic acid;4-(diethylamino)butanoic acid (PubChem CID 175877215) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is acetic acid;4-(diethylamino)butanoic acid.

Molecular Properties

Compound Nameacetic acid;4-(diethylamino)butanoic acid
PubChem CID175877215
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nameacetic acid;4-(diethylamino)butanoic acid
SMILESCC(=O)O.CCN(CC)CCCC(=O)O
InChIInChI=1S/C8H17NO2.C2H4O2/c1-3-9(4-2)7-5-6-8(10)11;1-2(3)4/h3-7H2,1-2H3,(H,10,11);1H3,(H,3,4)
InChIKeyGUISUUCULXFWAK-UHFFFAOYSA-N
XLogP1.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Carboxypropyl)trimethylammonium chloride
CID 22620
4-Trimethylammoniobutanoate
CID 134
3-Carboxy-N-(2-Fluoroethyl)-N,N-Dimethylpropan-1-Aminium
CID 70673858
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
1-(3-Carboxypropyl)-1-Methylpyrrolidin-1-Ium
CID 21578870
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-(Pyrrolidin-1-yl)butanoic acid hydrochloride
CID 14855682
4-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539
4-(1-Methylpyrrolidin-1-ium-1-yl)butanoic acid chloride
CID 90655224

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(diethylamino)butanoic acid?
The IUPAC name of acetic acid;4-(diethylamino)butanoic acid (CID 175877215) is acetic acid;4-(diethylamino)butanoic acid.
What is the SMILES notation for acetic acid;4-(diethylamino)butanoic acid?
The canonical SMILES for acetic acid;4-(diethylamino)butanoic acid is CC(=O)O.CCN(CC)CCCC(=O)O.
What is the InChIKey of acetic acid;4-(diethylamino)butanoic acid?
The InChIKey is GUISUUCULXFWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C2H4O2/c1-3-9(4-2)7-5-6-8(10)11;1-2(3)4/h3-7H2,1-2H3,(H,10,11);1H3,(H,3,4).
What are the key properties of acetic acid;4-(diethylamino)butanoic acid?
acetic acid;4-(diethylamino)butanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-(diethylamino)butanoic acid is sourced from PubChem (CID 175877215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).