3-carboxypropyl(trimethyl)azanium hydroxide

C7H17NO3 — CID 24864762

IUPAC3-carboxypropyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CCCC(=O)O.[OH-]
InChIInChI=1S/C7H15NO2.H2O/c1-8(2,3)6-4-5-7(9)10;/h4-6H2,1-3H3;1H2
InChIKeyWMVZNQIEDYLSHJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.38
Rot. Bonds4

About 3-carboxypropyl(trimethyl)azanium hydroxide

3-carboxypropyl(trimethyl)azanium hydroxide (PubChem CID 24864762) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-carboxypropyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name3-carboxypropyl(trimethyl)azanium hydroxide
PubChem CID24864762
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name3-carboxypropyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CCCC(=O)O.[OH-]
InChIInChI=1S/C7H15NO2.H2O/c1-8(2,3)6-4-5-7(9)10;/h4-6H2,1-3H3;1H2
InChIKeyWMVZNQIEDYLSHJ-UHFFFAOYSA-N
XLogP0.38
TPSA67.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Gamma-Butyrobetaine
CID 725
4-Trimethylammoniobutanoate
CID 134
(3-Carboxypropyl)trimethylammonium chloride
CID 22620
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-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539

Frequently Asked Questions

What is the IUPAC name of 3-carboxypropyl(trimethyl)azanium hydroxide?
The IUPAC name of 3-carboxypropyl(trimethyl)azanium hydroxide (CID 24864762) is 3-carboxypropyl(trimethyl)azanium hydroxide.
What is the SMILES notation for 3-carboxypropyl(trimethyl)azanium hydroxide?
The canonical SMILES for 3-carboxypropyl(trimethyl)azanium hydroxide is C[N+](C)(C)CCCC(=O)O.[OH-].
What is the InChIKey of 3-carboxypropyl(trimethyl)azanium hydroxide?
The InChIKey is WMVZNQIEDYLSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.H2O/c1-8(2,3)6-4-5-7(9)10;/h4-6H2,1-3H3;1H2.
What are the key properties of 3-carboxypropyl(trimethyl)azanium hydroxide?
3-carboxypropyl(trimethyl)azanium hydroxide has a molecular weight of 163.22 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxypropyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 24864762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).