2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid

C7H12N2O5 — CID 63931368

IUPAC2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid
SMILESCC(=O)N(C)CC(=O)NOCC(=O)O
InChIInChI=1S/C7H12N2O5/c1-5(10)9(2)3-6(11)8-14-4-7(12)13/h3-4H2,1-2H3,(H,8,11)(H,12,13)
InChIKeyASWLJIQCVIDYJY-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.40
Rot. Bonds5

About 2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid

2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid (PubChem CID 63931368) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid
PubChem CID63931368
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid
SMILESCC(=O)N(C)CC(=O)NOCC(=O)O
InChIInChI=1S/C7H12N2O5/c1-5(10)9(2)3-6(11)8-14-4-7(12)13/h3-4H2,1-2H3,(H,8,11)(H,12,13)
InChIKeyASWLJIQCVIDYJY-UHFFFAOYSA-N
XLogP-1.40
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
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-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid (CID 63931368) is 2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid is CC(=O)N(C)CC(=O)NOCC(=O)O.
What is the InChIKey of 2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid?
The InChIKey is ASWLJIQCVIDYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-5(10)9(2)3-6(11)8-14-4-7(12)13/h3-4H2,1-2H3,(H,8,11)(H,12,13).
What are the key properties of 2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid?
2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid has a molecular weight of 204.18 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid is sourced from PubChem (CID 63931368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).