2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C14H17N5O2 — CID 79610586

IUPAC2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2c1ncnc2nc[nH]c12
InChIInChI=1S/C14H17N5O2/c20-11(21)5-8-3-9-1-2-10(4-8)19(9)14-12-13(16-6-15-12)17-7-18-14/h6-10H,1-5H2,(H,20,21)(H,15,16,17,18)
InChIKeyUJHCAGLSYIAZRY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.58
Rot. Bonds3

About 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79610586) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79610586
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2c1ncnc2nc[nH]c12
InChIInChI=1S/C14H17N5O2/c20-11(21)5-8-3-9-1-2-10(4-8)19(9)14-12-13(16-6-15-12)17-7-18-14/h6-10H,1-5H2,(H,20,21)(H,15,16,17,18)
InChIKeyUJHCAGLSYIAZRY-UHFFFAOYSA-N
XLogP1.58
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

2-[8-(6-methoxy-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610370
3-phenyl-8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 110218964
2-[8-(5-methylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609055
2-[8-(6-ethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608471
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
(2S,4R)-4-amino-N-methyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
CID 70769924
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid
CID 168692424
2-[4,4-dimethyl-1-(7H-purin-6-yl)pyrrolidin-2-yl]acetamide
CID 166358719
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
2-[8-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609128
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504

Frequently Asked Questions

What is the IUPAC name of 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79610586) is 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2c1ncnc2nc[nH]c12.
What is the InChIKey of 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is UJHCAGLSYIAZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-11(21)5-8-3-9-1-2-10(4-8)19(9)14-12-13(16-6-15-12)17-7-18-14/h6-10H,1-5H2,(H,20,21)(H,15,16,17,18).
What are the key properties of 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(7H-purin-6-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79610586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).