3-(2-aminopyrimidin-5-yl)propanoic acid

C7H9N3O2 — CID 50897575

IUPAC3-(2-aminopyrimidin-5-yl)propanoic acid
SMILESNc1ncc(CCC(=O)O)cn1
InChIInChI=1S/C7H9N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h3-4H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKeyHQKPDWMFQNOCLN-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.08
Rot. Bonds3

About 3-(2-aminopyrimidin-5-yl)propanoic acid

3-(2-aminopyrimidin-5-yl)propanoic acid (PubChem CID 50897575) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-aminopyrimidin-5-yl)propanoic acid
PubChem CID50897575
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-(2-aminopyrimidin-5-yl)propanoic acid
SMILESNc1ncc(CCC(=O)O)cn1
InChIInChI=1S/C7H9N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h3-4H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKeyHQKPDWMFQNOCLN-UHFFFAOYSA-N
XLogP0.08
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(2-aminopyrimidin-5-yl)propanoic acid (CID 50897575) is 3-(2-aminopyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-aminopyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(2-aminopyrimidin-5-yl)propanoic acid is Nc1ncc(CCC(=O)O)cn1.
What is the InChIKey of 3-(2-aminopyrimidin-5-yl)propanoic acid?
The InChIKey is HQKPDWMFQNOCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h3-4H,1-2H2,(H,11,12)(H2,8,9,10).
What are the key properties of 3-(2-aminopyrimidin-5-yl)propanoic acid?
3-(2-aminopyrimidin-5-yl)propanoic acid has a molecular weight of 167.17 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 50897575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).