2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid

C8H11N3O3 — CID 43468831

IUPAC2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid
SMILESCOc1ccnc(NC(C)C(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-5(7(12)13)10-8-9-4-3-6(11-8)14-2/h3-5H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyTZZHDBGPUIATRA-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.37
Rot. Bonds4

About 2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid

2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid (PubChem CID 43468831) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid
PubChem CID43468831
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid
SMILESCOc1ccnc(NC(C)C(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-5(7(12)13)10-8-9-4-3-6(11-8)14-2/h3-5H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyTZZHDBGPUIATRA-UHFFFAOYSA-N
XLogP0.37
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid (CID 43468831) is 2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid is COc1ccnc(NC(C)C(=O)O)n1.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid?
The InChIKey is TZZHDBGPUIATRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(7(12)13)10-8-9-4-3-6(11-8)14-2/h3-5H,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid?
2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 43468831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).