2-purin-9-ylpiperidine-1-carboxylic acid

C11H13N5O2 — CID 146273917

IUPAC2-purin-9-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1n1cnc2cncnc21
InChIInChI=1S/C11H13N5O2/c17-11(18)15-4-2-1-3-9(15)16-7-14-8-5-12-6-13-10(8)16/h5-7,9H,1-4H2,(H,17,18)
InChIKeyAMPTUFRYEIUTGA-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.49
Rot. Bonds1

About 2-purin-9-ylpiperidine-1-carboxylic acid

2-purin-9-ylpiperidine-1-carboxylic acid (PubChem CID 146273917) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-purin-9-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-purin-9-ylpiperidine-1-carboxylic acid
PubChem CID146273917
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-purin-9-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1n1cnc2cncnc21
InChIInChI=1S/C11H13N5O2/c17-11(18)15-4-2-1-3-9(15)16-7-14-8-5-12-6-13-10(8)16/h5-7,9H,1-4H2,(H,17,18)
InChIKeyAMPTUFRYEIUTGA-UHFFFAOYSA-N
XLogP1.49
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-purin-9-ylpiperidine-1-carboxylic acid?
The IUPAC name of 2-purin-9-ylpiperidine-1-carboxylic acid (CID 146273917) is 2-purin-9-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-purin-9-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-purin-9-ylpiperidine-1-carboxylic acid is O=C(O)N1CCCCC1n1cnc2cncnc21.
What is the InChIKey of 2-purin-9-ylpiperidine-1-carboxylic acid?
The InChIKey is AMPTUFRYEIUTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-11(18)15-4-2-1-3-9(15)16-7-14-8-5-12-6-13-10(8)16/h5-7,9H,1-4H2,(H,17,18).
What are the key properties of 2-purin-9-ylpiperidine-1-carboxylic acid?
2-purin-9-ylpiperidine-1-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-purin-9-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 146273917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).