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

C9H12N4O4 — CID 63931363

IUPAC2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid
SMILESCN(CC(=O)NOCC(=O)O)c1ncccn1
InChIInChI=1S/C9H12N4O4/c1-13(9-10-3-2-4-11-9)5-7(14)12-17-6-8(15)16/h2-4H,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyKKOYEAZNMGRXFJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.95
Rot. Bonds6

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

2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid (PubChem CID 63931363) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid
PubChem CID63931363
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid
SMILESCN(CC(=O)NOCC(=O)O)c1ncccn1
InChIInChI=1S/C9H12N4O4/c1-13(9-10-3-2-4-11-9)5-7(14)12-17-6-8(15)16/h2-4H,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyKKOYEAZNMGRXFJ-UHFFFAOYSA-N
XLogP-0.95
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457446
N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 82723385
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602827
2-[[2-[acetyl(methyl)amino]acetyl]amino]oxyacetic acid
CID 63931368
6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]hexanoic acid
CID 43352886
2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
CID 62675666
3-[ethyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
CID 61007981
[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063495
N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842
N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 43500389
2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide
CID 106164955

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid (CID 63931363) is 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid is CN(CC(=O)NOCC(=O)O)c1ncccn1.
What is the InChIKey of 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid?
The InChIKey is KKOYEAZNMGRXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-13(9-10-3-2-4-11-9)5-7(14)12-17-6-8(15)16/h2-4H,5-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid?
2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid has a molecular weight of 240.22 g/mol, XLogP of -0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid is sourced from PubChem (CID 63931363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).