(2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid

C13H15N5O2 — CID 122051660

IUPAC(2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ncnc2c1ncn2C1CC1
InChIInChI=1S/C13H15N5O2/c19-13(20)9-2-1-5-17(9)11-10-12(15-6-14-11)18(7-16-10)8-3-4-8/h6-9H,1-5H2,(H,19,20)/t9-/m1/s1
InChIKeyOKIDUKQNSMFMAQ-SECBINFHSA-N
MW273.30 g/mol
LogP1.21
Rot. Bonds3

About (2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122051660) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid
PubChem CID122051660
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ncnc2c1ncn2C1CC1
InChIInChI=1S/C13H15N5O2/c19-13(20)9-2-1-5-17(9)11-10-12(15-6-14-11)18(7-16-10)8-3-4-8/h6-9H,1-5H2,(H,19,20)/t9-/m1/s1
InChIKeyOKIDUKQNSMFMAQ-SECBINFHSA-N
XLogP1.21
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid (CID 122051660) is (2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1ncnc2c1ncn2C1CC1.
What is the InChIKey of (2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is OKIDUKQNSMFMAQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-13(20)9-2-1-5-17(9)11-10-12(15-6-14-11)18(7-16-10)8-3-4-8/h6-9H,1-5H2,(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).