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

C11H16N4O4 — CID 79457446

IUPAC2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid
SMILESCN(CC(=O)NCCOCC(=O)O)c1ncccn1
InChIInChI=1S/C11H16N4O4/c1-15(11-13-3-2-4-14-11)7-9(16)12-5-6-19-8-10(17)18/h2-4H,5-8H2,1H3,(H,12,16)(H,17,18)
InChIKeyLZFZYTKPQRMGBE-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.87
Rot. Bonds8

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

2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid (PubChem CID 79457446) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid
PubChem CID79457446
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid
SMILESCN(CC(=O)NCCOCC(=O)O)c1ncccn1
InChIInChI=1S/C11H16N4O4/c1-15(11-13-3-2-4-14-11)7-9(16)12-5-6-19-8-10(17)18/h2-4H,5-8H2,1H3,(H,12,16)(H,17,18)
InChIKeyLZFZYTKPQRMGBE-UHFFFAOYSA-N
XLogP-0.87
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid
CID 63931363
6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]hexanoic acid
CID 43352886
N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 43500389
2-[2-[[2-[acetyl(methyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457414
2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464278
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 113313381
2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
CID 62675666
N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842
2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64530410
2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
CID 79464321
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid (CID 79457446) is 2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid is CN(CC(=O)NCCOCC(=O)O)c1ncccn1.
What is the InChIKey of 2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid?
The InChIKey is LZFZYTKPQRMGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-15(11-13-3-2-4-14-11)7-9(16)12-5-6-19-8-10(17)18/h2-4H,5-8H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79457446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).