2-[acetamido(carboxylatomethyl)amino]acetate

C6H8N2O5-2 — CID 19352929

IUPAC2-[acetamido(carboxylatomethyl)amino]acetate
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)/p-2
InChIKeyLJCGQQOZNDXTKI-UHFFFAOYSA-L
MW188.14 g/mol
LogP-4.16
Rot. Bonds5

About 2-[acetamido(carboxylatomethyl)amino]acetate

2-[acetamido(carboxylatomethyl)amino]acetate (PubChem CID 19352929) has the molecular formula C6H8N2O5-2 and a molecular weight of 188.14 g/mol. Its IUPAC name is 2-[acetamido(carboxylatomethyl)amino]acetate.

Molecular Properties

Compound Name2-[acetamido(carboxylatomethyl)amino]acetate
PubChem CID19352929
Molecular FormulaC6H8N2O5-2
Molecular Weight188.14 g/mol
Exact Mass188.04
IUPAC Name2-[acetamido(carboxylatomethyl)amino]acetate
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)/p-2
InChIKeyLJCGQQOZNDXTKI-UHFFFAOYSA-L
XLogP-4.16
TPSA112.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-4.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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(carboxylatomethyl)amino]acetate?
The IUPAC name of 2-[acetamido(carboxylatomethyl)amino]acetate (CID 19352929) is 2-[acetamido(carboxylatomethyl)amino]acetate.
What is the SMILES notation for 2-[acetamido(carboxylatomethyl)amino]acetate?
The canonical SMILES for 2-[acetamido(carboxylatomethyl)amino]acetate is CC(=O)NN(CC(=O)[O-])CC(=O)[O-].
What is the InChIKey of 2-[acetamido(carboxylatomethyl)amino]acetate?
The InChIKey is LJCGQQOZNDXTKI-UHFFFAOYSA-L. 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)/p-2.
What are the key properties of 2-[acetamido(carboxylatomethyl)amino]acetate?
2-[acetamido(carboxylatomethyl)amino]acetate has a molecular weight of 188.14 g/mol, XLogP of -4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetamido(carboxylatomethyl)amino]acetate is sourced from PubChem (CID 19352929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).