2-acetamido-2-(carboxymethylamino)acetic acid

C6H10N2O5 — CID 23451922

IUPAC2-acetamido-2-(carboxymethylamino)acetic acid
SMILESCC(=O)NC(NCC(=O)O)C(=O)O
InChIInChI=1S/C6H10N2O5/c1-3(9)8-5(6(12)13)7-2-4(10)11/h5,7H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
InChIKeyGQAZERYGHYLFQJ-UHFFFAOYSA-N
MW190.15 g/mol
LogP-1.79
Rot. Bonds5

About 2-acetamido-2-(carboxymethylamino)acetic acid

2-acetamido-2-(carboxymethylamino)acetic acid (PubChem CID 23451922) has the molecular formula C6H10N2O5 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-acetamido-2-(carboxymethylamino)acetic acid.

Molecular Properties

Compound Name2-acetamido-2-(carboxymethylamino)acetic acid
PubChem CID23451922
Molecular FormulaC6H10N2O5
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-acetamido-2-(carboxymethylamino)acetic acid
SMILESCC(=O)NC(NCC(=O)O)C(=O)O
InChIInChI=1S/C6H10N2O5/c1-3(9)8-5(6(12)13)7-2-4(10)11/h5,7H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
InChIKeyGQAZERYGHYLFQJ-UHFFFAOYSA-N
XLogP-1.79
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(carboxymethylamino)acetic acid?
The IUPAC name of 2-acetamido-2-(carboxymethylamino)acetic acid (CID 23451922) is 2-acetamido-2-(carboxymethylamino)acetic acid.
What is the SMILES notation for 2-acetamido-2-(carboxymethylamino)acetic acid?
The canonical SMILES for 2-acetamido-2-(carboxymethylamino)acetic acid is CC(=O)NC(NCC(=O)O)C(=O)O.
What is the InChIKey of 2-acetamido-2-(carboxymethylamino)acetic acid?
The InChIKey is GQAZERYGHYLFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O5/c1-3(9)8-5(6(12)13)7-2-4(10)11/h5,7H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 2-acetamido-2-(carboxymethylamino)acetic acid?
2-acetamido-2-(carboxymethylamino)acetic acid has a molecular weight of 190.15 g/mol, XLogP of -1.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(carboxymethylamino)acetic acid is sourced from PubChem (CID 23451922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).