3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid

C8H11N3O3 — CID 16769473

IUPAC3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid
SMILESCOc1ccnc(NCCC(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-14-6-2-4-9-8(11-6)10-5-3-7(12)13/h2,4H,3,5H2,1H3,(H,12,13)(H,9,10,11)
InChIKeySOFYHFHQQHACDG-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.37
Rot. Bonds5

About 3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid

3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid (PubChem CID 16769473) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid
PubChem CID16769473
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid
SMILESCOc1ccnc(NCCC(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-14-6-2-4-9-8(11-6)10-5-3-7(12)13/h2,4H,3,5H2,1H3,(H,12,13)(H,9,10,11)
InChIKeySOFYHFHQQHACDG-UHFFFAOYSA-N
XLogP0.37
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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 3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid (CID 16769473) is 3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid is COc1ccnc(NCCC(=O)O)n1.
What is the InChIKey of 3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid?
The InChIKey is SOFYHFHQQHACDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-6-2-4-9-8(11-6)10-5-3-7(12)13/h2,4H,3,5H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid?
3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 16769473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).