carboxy-(carboxymethyl)-dimethylazanium

C5H10NO4+ — CID 54381098

IUPACcarboxy-(carboxymethyl)-dimethylazanium
SMILESC[N+](C)(CC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H-,7,8,9,10)/p+1
InChIKeyUZYIFEDJHVLUAO-UHFFFAOYSA-O
MW148.14 g/mol
LogP-0.17
Rot. Bonds2

About carboxy-(carboxymethyl)-dimethylazanium

carboxy-(carboxymethyl)-dimethylazanium (PubChem CID 54381098) has the molecular formula C5H10NO4+ and a molecular weight of 148.14 g/mol. Its IUPAC name is carboxy-(carboxymethyl)-dimethylazanium.

Molecular Properties

Compound Namecarboxy-(carboxymethyl)-dimethylazanium
PubChem CID54381098
Molecular FormulaC5H10NO4+
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC Namecarboxy-(carboxymethyl)-dimethylazanium
SMILESC[N+](C)(CC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H-,7,8,9,10)/p+1
InChIKeyUZYIFEDJHVLUAO-UHFFFAOYSA-O
XLogP-0.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-0.17
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 carboxy-(carboxymethyl)-dimethylazanium?
The IUPAC name of carboxy-(carboxymethyl)-dimethylazanium (CID 54381098) is carboxy-(carboxymethyl)-dimethylazanium.
What is the SMILES notation for carboxy-(carboxymethyl)-dimethylazanium?
The canonical SMILES for carboxy-(carboxymethyl)-dimethylazanium is C[N+](C)(CC(=O)O)C(=O)O.
What is the InChIKey of carboxy-(carboxymethyl)-dimethylazanium?
The InChIKey is UZYIFEDJHVLUAO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H-,7,8,9,10)/p+1.
What are the key properties of carboxy-(carboxymethyl)-dimethylazanium?
carboxy-(carboxymethyl)-dimethylazanium has a molecular weight of 148.14 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-(carboxymethyl)-dimethylazanium is sourced from PubChem (CID 54381098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).