2-aminoethyl-carboxy-diethylazanium

C7H17N2O2+ — CID 134927556

IUPAC2-aminoethyl-carboxy-diethylazanium
SMILESCC[N+](CC)(CCN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-3-9(4-2,6-5-8)7(10)11/h3-6,8H2,1-2H3/p+1
InChIKeyAXAPEPAKQKFUMK-UHFFFAOYSA-O
MW161.22 g/mol
LogP0.48
Rot. Bonds4

About 2-aminoethyl-carboxy-diethylazanium

2-aminoethyl-carboxy-diethylazanium (PubChem CID 134927556) has the molecular formula C7H17N2O2+ and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-aminoethyl-carboxy-diethylazanium.

Molecular Properties

Compound Name2-aminoethyl-carboxy-diethylazanium
PubChem CID134927556
Molecular FormulaC7H17N2O2+
Molecular Weight161.22 g/mol
Exact Mass161.13
IUPAC Name2-aminoethyl-carboxy-diethylazanium
SMILESCC[N+](CC)(CCN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-3-9(4-2,6-5-8)7(10)11/h3-6,8H2,1-2H3/p+1
InChIKeyAXAPEPAKQKFUMK-UHFFFAOYSA-O
XLogP0.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.48
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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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-carboxy-diethylazanium?
The IUPAC name of 2-aminoethyl-carboxy-diethylazanium (CID 134927556) is 2-aminoethyl-carboxy-diethylazanium.
What is the SMILES notation for 2-aminoethyl-carboxy-diethylazanium?
The canonical SMILES for 2-aminoethyl-carboxy-diethylazanium is CC[N+](CC)(CCN)C(=O)O.
What is the InChIKey of 2-aminoethyl-carboxy-diethylazanium?
The InChIKey is AXAPEPAKQKFUMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O2/c1-3-9(4-2,6-5-8)7(10)11/h3-6,8H2,1-2H3/p+1.
What are the key properties of 2-aminoethyl-carboxy-diethylazanium?
2-aminoethyl-carboxy-diethylazanium has a molecular weight of 161.22 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-carboxy-diethylazanium is sourced from PubChem (CID 134927556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).