2-(6-aminopurin-9-yl)propanoic acid

C8H9N5O2 — CID 14216893

IUPAC2-(6-aminopurin-9-yl)propanoic acid
SMILESCC(C(=O)O)n1cnc2c(N)ncnc21
InChIInChI=1S/C8H9N5O2/c1-4(8(14)15)13-3-12-5-6(9)10-2-11-7(5)13/h2-4H,1H3,(H,14,15)(H2,9,10,11)
InChIKeyDNFSDVZNZNHNAB-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.05
Rot. Bonds2

About 2-(6-aminopurin-9-yl)propanoic acid

2-(6-aminopurin-9-yl)propanoic acid (PubChem CID 14216893) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)propanoic acid
PubChem CID14216893
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-(6-aminopurin-9-yl)propanoic acid
SMILESCC(C(=O)O)n1cnc2c(N)ncnc21
InChIInChI=1S/C8H9N5O2/c1-4(8(14)15)13-3-12-5-6(9)10-2-11-7(5)13/h2-4H,1H3,(H,14,15)(H2,9,10,11)
InChIKeyDNFSDVZNZNHNAB-UHFFFAOYSA-N
XLogP0.05
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-aminopurin-9-yl)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 2-(6-aminopurin-9-yl)propanoic acid?
The IUPAC name of 2-(6-aminopurin-9-yl)propanoic acid (CID 14216893) is 2-(6-aminopurin-9-yl)propanoic acid.
What is the SMILES notation for 2-(6-aminopurin-9-yl)propanoic acid?
The canonical SMILES for 2-(6-aminopurin-9-yl)propanoic acid is CC(C(=O)O)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-aminopurin-9-yl)propanoic acid?
The InChIKey is DNFSDVZNZNHNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-4(8(14)15)13-3-12-5-6(9)10-2-11-7(5)13/h2-4H,1H3,(H,14,15)(H2,9,10,11).
What are the key properties of 2-(6-aminopurin-9-yl)propanoic acid?
2-(6-aminopurin-9-yl)propanoic acid has a molecular weight of 207.19 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)propanoic acid is sourced from PubChem (CID 14216893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).