3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate

C10H24N2O3 — CID 175510822

IUPAC3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].CC[N+](C)(C)CCCN
InChIInChI=1S/C7H19N2.C3H6O3/c1-4-9(2,3)7-5-6-8;1-2(4)3(5)6/h4-8H2,1-3H3;2,4H,1H3,(H,5,6)/q+1;/p-1
InChIKeyABMHZXQYILVGCG-UHFFFAOYSA-M
MW220.31 g/mol
LogP-1.45
Rot. Bonds5

About 3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate

3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate (PubChem CID 175510822) has the molecular formula C10H24N2O3 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate.

Molecular Properties

Compound Name3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate
PubChem CID175510822
Molecular FormulaC10H24N2O3
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].CC[N+](C)(C)CCCN
InChIInChI=1S/C7H19N2.C3H6O3/c1-4-9(2,3)7-5-6-8;1-2(4)3(5)6/h4-8H2,1-3H3;2,4H,1H3,(H,5,6)/q+1;/p-1
InChIKeyABMHZXQYILVGCG-UHFFFAOYSA-M
XLogP-1.45
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate?
The IUPAC name of 3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate (CID 175510822) is 3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate.
What is the SMILES notation for 3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate?
The canonical SMILES for 3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate is CC(O)C(=O)[O-].CC[N+](C)(C)CCCN.
What is the InChIKey of 3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate?
The InChIKey is ABMHZXQYILVGCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H19N2.C3H6O3/c1-4-9(2,3)7-5-6-8;1-2(4)3(5)6/h4-8H2,1-3H3;2,4H,1H3,(H,5,6)/q+1;/p-1.
What are the key properties of 3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate?
3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate has a molecular weight of 220.31 g/mol, XLogP of -1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate is sourced from PubChem (CID 175510822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).