3-carboxypropyl(triethyl)azanium

C10H22NO2+ — CID 15278121

IUPAC3-carboxypropyl(triethyl)azanium
SMILESCC[N+](CC)(CC)CCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-11(5-2,6-3)9-7-8-10(12)13/h4-9H2,1-3H3/p+1
InChIKeyQGHAFFLWVVVBCJ-UHFFFAOYSA-O
MW188.29 g/mol
LogP1.73
Rot. Bonds7

About 3-carboxypropyl(triethyl)azanium

3-carboxypropyl(triethyl)azanium (PubChem CID 15278121) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-carboxypropyl(triethyl)azanium.

Molecular Properties

Compound Name3-carboxypropyl(triethyl)azanium
PubChem CID15278121
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name3-carboxypropyl(triethyl)azanium
SMILESCC[N+](CC)(CC)CCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-11(5-2,6-3)9-7-8-10(12)13/h4-9H2,1-3H3/p+1
InChIKeyQGHAFFLWVVVBCJ-UHFFFAOYSA-O
XLogP1.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(3-Carboxypropyl)trimethylammonium chloride
CID 22620
4-Trimethylammoniobutanoate
CID 134
Butyric acid, 4-piperidino-
CID 20794
N-butyl-N-(3-carboxypropyl)nitrosamine
CID 37993
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
Carpronium
CID 2582
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

Frequently Asked Questions

What is the IUPAC name of 3-carboxypropyl(triethyl)azanium?
The IUPAC name of 3-carboxypropyl(triethyl)azanium (CID 15278121) is 3-carboxypropyl(triethyl)azanium.
What is the SMILES notation for 3-carboxypropyl(triethyl)azanium?
The canonical SMILES for 3-carboxypropyl(triethyl)azanium is CC[N+](CC)(CC)CCCC(=O)O.
What is the InChIKey of 3-carboxypropyl(triethyl)azanium?
The InChIKey is QGHAFFLWVVVBCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO2/c1-4-11(5-2,6-3)9-7-8-10(12)13/h4-9H2,1-3H3/p+1.
What are the key properties of 3-carboxypropyl(triethyl)azanium?
3-carboxypropyl(triethyl)azanium has a molecular weight of 188.29 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxypropyl(triethyl)azanium is sourced from PubChem (CID 15278121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).