2-aminopropanoic acid;tetraethylazanium

C11H27N2O2+ — CID 175034793

IUPAC2-aminopropanoic acid;tetraethylazanium
SMILESCC(N)C(=O)O.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C3H7NO2/c1-5-9(6-2,7-3)8-4;1-2(4)3(5)6/h5-8H2,1-4H3;2H,4H2,1H3,(H,5,6)/q+1;
InChIKeyWWQRMBXDXPEDGE-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.30
Rot. Bonds5

About 2-aminopropanoic acid;tetraethylazanium

2-aminopropanoic acid;tetraethylazanium (PubChem CID 175034793) has the molecular formula C11H27N2O2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-aminopropanoic acid;tetraethylazanium.

Molecular Properties

Compound Name2-aminopropanoic acid;tetraethylazanium
PubChem CID175034793
Molecular FormulaC11H27N2O2+
Molecular Weight219.35 g/mol
Exact Mass219.21
IUPAC Name2-aminopropanoic acid;tetraethylazanium
SMILESCC(N)C(=O)O.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C3H7NO2/c1-5-9(6-2,7-3)8-4;1-2(4)3(5)6/h5-8H2,1-4H3;2H,4H2,1H3,(H,5,6)/q+1;
InChIKeyWWQRMBXDXPEDGE-UHFFFAOYSA-N
XLogP1.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
(2S)-2-aminopropanoic acid;propane-1,1-diamine
CID 88729324
carbamic acid;tetraethylazanium
CID 159284464
CID 86589108
CID 86589108
(2S)-2-aminopropanoic acid;polane
CID 173022618
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;tetraethylazanium?
The IUPAC name of 2-aminopropanoic acid;tetraethylazanium (CID 175034793) is 2-aminopropanoic acid;tetraethylazanium.
What is the SMILES notation for 2-aminopropanoic acid;tetraethylazanium?
The canonical SMILES for 2-aminopropanoic acid;tetraethylazanium is CC(N)C(=O)O.CC[N+](CC)(CC)CC.
What is the InChIKey of 2-aminopropanoic acid;tetraethylazanium?
The InChIKey is WWQRMBXDXPEDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C3H7NO2/c1-5-9(6-2,7-3)8-4;1-2(4)3(5)6/h5-8H2,1-4H3;2H,4H2,1H3,(H,5,6)/q+1;.
What are the key properties of 2-aminopropanoic acid;tetraethylazanium?
2-aminopropanoic acid;tetraethylazanium has a molecular weight of 219.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;tetraethylazanium is sourced from PubChem (CID 175034793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).