2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

C8H11N3O3 — CID 136958766

IUPAC2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H11N3O3/c1-5(8(13)14)11(2)6-3-7(12)10-4-9-6/h3-5H,1-2H3,(H,13,14)(H,9,10,12)
InChIKeyFYLFZGBPRYDLDE-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.32
Rot. Bonds3

About 2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958766) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958766
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H11N3O3/c1-5(8(13)14)11(2)6-3-7(12)10-4-9-6/h3-5H,1-2H3,(H,13,14)(H,9,10,12)
InChIKeyFYLFZGBPRYDLDE-UHFFFAOYSA-N
XLogP-0.32
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958766) is 2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is CC(C(=O)O)N(C)c1cc(=O)[nH]cn1.
What is the InChIKey of 2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is FYLFZGBPRYDLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(8(13)14)11(2)6-3-7(12)10-4-9-6/h3-5H,1-2H3,(H,13,14)(H,9,10,12).
What are the key properties of 2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).