3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid

C8H9N5O2 — CID 10727013

IUPAC3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid
SMILESNc1ncnc2nn(CCC(=O)O)cc12
InChIInChI=1S/C8H9N5O2/c9-7-5-3-13(2-1-6(14)15)12-8(5)11-4-10-7/h3-4H,1-2H2,(H,14,15)(H2,9,10,11,12)
InChIKeyZKQQQDXTWJERMC-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.12
Rot. Bonds3

About 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid

3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid (PubChem CID 10727013) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid
PubChem CID10727013
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid
SMILESNc1ncnc2nn(CCC(=O)O)cc12
InChIInChI=1S/C8H9N5O2/c9-7-5-3-13(2-1-6(14)15)12-8(5)11-4-10-7/h3-4H,1-2H2,(H,14,15)(H2,9,10,11,12)
InChIKeyZKQQQDXTWJERMC-UHFFFAOYSA-N
XLogP-0.12
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid (CID 10727013) is 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid is Nc1ncnc2nn(CCC(=O)O)cc12.
What is the InChIKey of 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid?
The InChIKey is ZKQQQDXTWJERMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-7-5-3-13(2-1-6(14)15)12-8(5)11-4-10-7/h3-4H,1-2H2,(H,14,15)(H2,9,10,11,12).
What are the key properties of 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid?
3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid has a molecular weight of 207.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 10727013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).