2-[acetamido(carboxymethyl)amino]acetic acid

C6H10N2O5 — CID 19352930

IUPAC2-[acetamido(carboxymethyl)amino]acetic acid
SMILESCC(=O)NN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10N2O5/c1-4(9)7-8(2-5(10)11)3-6(12)13/h2-3H2,1H3,(H,7,9)(H,10,11)(H,12,13)
InChIKeyLJCGQQOZNDXTKI-UHFFFAOYSA-N
MW190.15 g/mol
LogP-1.49
Rot. Bonds5

About 2-[acetamido(carboxymethyl)amino]acetic acid

2-[acetamido(carboxymethyl)amino]acetic acid (PubChem CID 19352930) has the molecular formula C6H10N2O5 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-[acetamido(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetamido(carboxymethyl)amino]acetic acid
PubChem CID19352930
Molecular FormulaC6H10N2O5
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-[acetamido(carboxymethyl)amino]acetic acid
SMILESCC(=O)NN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10N2O5/c1-4(9)7-8(2-5(10)11)3-6(12)13/h2-3H2,1H3,(H,7,9)(H,10,11)(H,12,13)
InChIKeyLJCGQQOZNDXTKI-UHFFFAOYSA-N
XLogP-1.49
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[acetamido(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[acetamido(carboxymethyl)amino]acetic acid (CID 19352930) is 2-[acetamido(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[acetamido(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[acetamido(carboxymethyl)amino]acetic acid is CC(=O)NN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[acetamido(carboxymethyl)amino]acetic acid?
The InChIKey is LJCGQQOZNDXTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O5/c1-4(9)7-8(2-5(10)11)3-6(12)13/h2-3H2,1H3,(H,7,9)(H,10,11)(H,12,13).
What are the key properties of 2-[acetamido(carboxymethyl)amino]acetic acid?
2-[acetamido(carboxymethyl)amino]acetic acid has a molecular weight of 190.15 g/mol, XLogP of -1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetamido(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 19352930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).