3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid

C11H13N5O3 — CID 135309552

IUPAC3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid
SMILESCn1cnc2c(OC3CCN(C(=O)O)C3)ncnc21
InChIInChI=1S/C11H13N5O3/c1-15-6-14-8-9(15)12-5-13-10(8)19-7-2-3-16(4-7)11(17)18/h5-7H,2-4H2,1H3,(H,17,18)
InChIKeyMPXISLVBISKHEO-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.49
Rot. Bonds2

About 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid

3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid (PubChem CID 135309552) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid
PubChem CID135309552
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid
SMILESCn1cnc2c(OC3CCN(C(=O)O)C3)ncnc21
InChIInChI=1S/C11H13N5O3/c1-15-6-14-8-9(15)12-5-13-10(8)19-7-2-3-16(4-7)11(17)18/h5-7H,2-4H2,1H3,(H,17,18)
InChIKeyMPXISLVBISKHEO-UHFFFAOYSA-N
XLogP0.49
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[8-(4-acetamidophenyl)-9-methylpurin-6-yl]oxypyrrolidine-1-carboxylic acid
CID 135309565
2-tert-butyl-3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid
CID 135309522
(3S)-3-[8-(4-imidazol-1-ylphenyl)-9-methylpurin-6-yl]oxypyrrolidine-1-carboxylic acid
CID 118556951
(3S)-3-[9-ethyl-8-[2-hydroxyethyl(methyl)amino]purin-6-yl]oxypyrrolidine-1-carboxylic acid
CID 118556965
3-[9-ethyl-8-[2-methoxyethyl(methyl)amino]purin-6-yl]oxypyrrolidine-1-carboxylic acid
CID 135309530
3-[9-ethyl-8-(6-methoxy-5-methyl-3-pyridinyl)purin-6-yl]oxypyrrolidine-1-carboxylic acid
CID 135309531
tert-butyl 3-[9-ethyl-8-[methyl(propan-2-yl)amino]purin-6-yl]oxypyrrolidine-1-carboxylate
CID 118377594
4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
CID 135219408
1-[(3S)-3-[9-methyl-8-(5-methyl-1-phenylpyrazol-4-yl)purin-6-yl]oxypyrrolidin-1-yl]propan-1-one
CID 90166546
6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine
CID 163348498
ethyl (3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 124891806
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966

Frequently Asked Questions

What is the IUPAC name of 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid (CID 135309552) is 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid is Cn1cnc2c(OC3CCN(C(=O)O)C3)ncnc21.
What is the InChIKey of 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid?
The InChIKey is MPXISLVBISKHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-15-6-14-8-9(15)12-5-13-10(8)19-7-2-3-16(4-7)11(17)18/h5-7H,2-4H2,1H3,(H,17,18).
What are the key properties of 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid?
3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methylpurin-6-yl)oxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 135309552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).