2-amino-3-purin-9-ylpropanoic acid

C8H9N5O2 — CID 69404907

IUPAC2-amino-3-purin-9-ylpropanoic acid
SMILESNC(Cn1cnc2cncnc21)C(=O)O
InChIInChI=1S/C8H9N5O2/c9-5(8(14)15)2-13-4-12-6-1-10-3-11-7(6)13/h1,3-5H,2,9H2,(H,14,15)
InChIKeyRDGVMNXEKUTFQK-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.76
Rot. Bonds3

About 2-amino-3-purin-9-ylpropanoic acid

2-amino-3-purin-9-ylpropanoic acid (PubChem CID 69404907) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-amino-3-purin-9-ylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-purin-9-ylpropanoic acid
PubChem CID69404907
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-amino-3-purin-9-ylpropanoic acid
SMILESNC(Cn1cnc2cncnc21)C(=O)O
InChIInChI=1S/C8H9N5O2/c9-5(8(14)15)2-13-4-12-6-1-10-3-11-7(6)13/h1,3-5H,2,9H2,(H,14,15)
InChIKeyRDGVMNXEKUTFQK-UHFFFAOYSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-purin-9-ylpropanoic acid?
The IUPAC name of 2-amino-3-purin-9-ylpropanoic acid (CID 69404907) is 2-amino-3-purin-9-ylpropanoic acid.
What is the SMILES notation for 2-amino-3-purin-9-ylpropanoic acid?
The canonical SMILES for 2-amino-3-purin-9-ylpropanoic acid is NC(Cn1cnc2cncnc21)C(=O)O.
What is the InChIKey of 2-amino-3-purin-9-ylpropanoic acid?
The InChIKey is RDGVMNXEKUTFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-5(8(14)15)2-13-4-12-6-1-10-3-11-7(6)13/h1,3-5H,2,9H2,(H,14,15).
What are the key properties of 2-amino-3-purin-9-ylpropanoic acid?
2-amino-3-purin-9-ylpropanoic acid has a molecular weight of 207.19 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-purin-9-ylpropanoic acid is sourced from PubChem (CID 69404907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).