3-(pyrimidin-2-ylamino)propanoic acid

C7H9N3O2 — CID 10511282

IUPAC3-(pyrimidin-2-ylamino)propanoic acid
SMILESO=C(O)CCNc1ncccn1
InChIInChI=1S/C7H9N3O2/c11-6(12)2-5-10-7-8-3-1-4-9-7/h1,3-4H,2,5H2,(H,11,12)(H,8,9,10)
InChIKeyRLUIOCBJPMRKTQ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.36
Rot. Bonds4

About 3-(pyrimidin-2-ylamino)propanoic acid

3-(pyrimidin-2-ylamino)propanoic acid (PubChem CID 10511282) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(pyrimidin-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(pyrimidin-2-ylamino)propanoic acid
PubChem CID10511282
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-(pyrimidin-2-ylamino)propanoic acid
SMILESO=C(O)CCNc1ncccn1
InChIInChI=1S/C7H9N3O2/c11-6(12)2-5-10-7-8-3-1-4-9-7/h1,3-4H,2,5H2,(H,11,12)(H,8,9,10)
InChIKeyRLUIOCBJPMRKTQ-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

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrimidin-2-ylamino)propanoic acid?
The IUPAC name of 3-(pyrimidin-2-ylamino)propanoic acid (CID 10511282) is 3-(pyrimidin-2-ylamino)propanoic acid.
What is the SMILES notation for 3-(pyrimidin-2-ylamino)propanoic acid?
The canonical SMILES for 3-(pyrimidin-2-ylamino)propanoic acid is O=C(O)CCNc1ncccn1.
What is the InChIKey of 3-(pyrimidin-2-ylamino)propanoic acid?
The InChIKey is RLUIOCBJPMRKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-6(12)2-5-10-7-8-3-1-4-9-7/h1,3-4H,2,5H2,(H,11,12)(H,8,9,10).
What are the key properties of 3-(pyrimidin-2-ylamino)propanoic acid?
3-(pyrimidin-2-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-2-ylamino)propanoic acid is sourced from PubChem (CID 10511282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).