dicarboxy-(2-carboxyethyl)-methylazanium

C6H10NO6+ — CID 19962709

IUPACdicarboxy-(2-carboxyethyl)-methylazanium
SMILESC[N+](CCC(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c1-7(5(10)11,6(12)13)3-2-4(8)9/h2-3H2,1H3,(H2-,8,9,10,11,12,13)/p+1
InChIKeyUXYKRAJRLXWZOH-UHFFFAOYSA-O
MW192.15 g/mol
LogP0.26
Rot. Bonds3

About dicarboxy-(2-carboxyethyl)-methylazanium

dicarboxy-(2-carboxyethyl)-methylazanium (PubChem CID 19962709) has the molecular formula C6H10NO6+ and a molecular weight of 192.15 g/mol. Its IUPAC name is dicarboxy-(2-carboxyethyl)-methylazanium.

Molecular Properties

Compound Namedicarboxy-(2-carboxyethyl)-methylazanium
PubChem CID19962709
Molecular FormulaC6H10NO6+
Molecular Weight192.15 g/mol
Exact Mass192.05
IUPAC Namedicarboxy-(2-carboxyethyl)-methylazanium
SMILESC[N+](CCC(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c1-7(5(10)11,6(12)13)3-2-4(8)9/h2-3H2,1H3,(H2-,8,9,10,11,12,13)/p+1
InChIKeyUXYKRAJRLXWZOH-UHFFFAOYSA-O
XLogP0.26
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 dicarboxy-(2-carboxyethyl)-methylazanium?
The IUPAC name of dicarboxy-(2-carboxyethyl)-methylazanium (CID 19962709) is dicarboxy-(2-carboxyethyl)-methylazanium.
What is the SMILES notation for dicarboxy-(2-carboxyethyl)-methylazanium?
The canonical SMILES for dicarboxy-(2-carboxyethyl)-methylazanium is C[N+](CCC(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of dicarboxy-(2-carboxyethyl)-methylazanium?
The InChIKey is UXYKRAJRLXWZOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9NO6/c1-7(5(10)11,6(12)13)3-2-4(8)9/h2-3H2,1H3,(H2-,8,9,10,11,12,13)/p+1.
What are the key properties of dicarboxy-(2-carboxyethyl)-methylazanium?
dicarboxy-(2-carboxyethyl)-methylazanium has a molecular weight of 192.15 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicarboxy-(2-carboxyethyl)-methylazanium is sourced from PubChem (CID 19962709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).