3-(pyrimidin-5-ylamino)propanoic acid

C7H9N3O2 — CID 82539654

IUPAC3-(pyrimidin-5-ylamino)propanoic acid
SMILESO=C(O)CCNc1cncnc1
InChIInChI=1S/C7H9N3O2/c11-7(12)1-2-10-6-3-8-5-9-4-6/h3-5,10H,1-2H2,(H,11,12)
InChIKeyMUJONISMLLUZAJ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.36
Rot. Bonds4

About 3-(pyrimidin-5-ylamino)propanoic acid

3-(pyrimidin-5-ylamino)propanoic acid (PubChem CID 82539654) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(pyrimidin-5-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(pyrimidin-5-ylamino)propanoic acid
PubChem CID82539654
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-(pyrimidin-5-ylamino)propanoic acid
SMILESO=C(O)CCNc1cncnc1
InChIInChI=1S/C7H9N3O2/c11-7(12)1-2-10-6-3-8-5-9-4-6/h3-5,10H,1-2H2,(H,11,12)
InChIKeyMUJONISMLLUZAJ-UHFFFAOYSA-N
XLogP0.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(pyrimidin-5-ylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(pyrimidin-5-ylamino)propanoic acid?
The IUPAC name of 3-(pyrimidin-5-ylamino)propanoic acid (CID 82539654) is 3-(pyrimidin-5-ylamino)propanoic acid.
What is the SMILES notation for 3-(pyrimidin-5-ylamino)propanoic acid?
The canonical SMILES for 3-(pyrimidin-5-ylamino)propanoic acid is O=C(O)CCNc1cncnc1.
What is the InChIKey of 3-(pyrimidin-5-ylamino)propanoic acid?
The InChIKey is MUJONISMLLUZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-7(12)1-2-10-6-3-8-5-9-4-6/h3-5,10H,1-2H2,(H,11,12).
What are the key properties of 3-(pyrimidin-5-ylamino)propanoic acid?
3-(pyrimidin-5-ylamino)propanoic acid has a molecular weight of 167.17 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrimidin-5-ylamino)propanoic acid is sourced from PubChem (CID 82539654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).