4-purin-9-ylpyrrolidine-2-carboxylic acid

C10H11N5O2 — CID 152757094

IUPAC4-purin-9-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(n2cnc3cncnc32)CN1
InChIInChI=1S/C10H11N5O2/c16-10(17)7-1-6(2-12-7)15-5-14-8-3-11-4-13-9(8)15/h3-7,12H,1-2H2,(H,16,17)
InChIKeyZSXQXFMZFAMLHF-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.19
Rot. Bonds2

About 4-purin-9-ylpyrrolidine-2-carboxylic acid

4-purin-9-ylpyrrolidine-2-carboxylic acid (PubChem CID 152757094) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-purin-9-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-purin-9-ylpyrrolidine-2-carboxylic acid
PubChem CID152757094
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name4-purin-9-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(n2cnc3cncnc32)CN1
InChIInChI=1S/C10H11N5O2/c16-10(17)7-1-6(2-12-7)15-5-14-8-3-11-4-13-9(8)15/h3-7,12H,1-2H2,(H,16,17)
InChIKeyZSXQXFMZFAMLHF-UHFFFAOYSA-N
XLogP-0.19
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-purin-9-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-purin-9-ylpyrrolidine-2-carboxylic acid (CID 152757094) is 4-purin-9-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-purin-9-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-purin-9-ylpyrrolidine-2-carboxylic acid is O=C(O)C1CC(n2cnc3cncnc32)CN1.
What is the InChIKey of 4-purin-9-ylpyrrolidine-2-carboxylic acid?
The InChIKey is ZSXQXFMZFAMLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-10(17)7-1-6(2-12-7)15-5-14-8-3-11-4-13-9(8)15/h3-7,12H,1-2H2,(H,16,17).
What are the key properties of 4-purin-9-ylpyrrolidine-2-carboxylic acid?
4-purin-9-ylpyrrolidine-2-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-purin-9-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 152757094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).