methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate

C13H17N5O2 — CID 15659288

IUPACmethyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
SMILESCOC(=O)C[C@@H]1CC[C@@H](n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C13H17N5O2/c1-20-10(19)5-8-2-3-9(4-8)18-7-17-11-12(14)15-6-16-13(11)18/h6-9H,2-5H2,1H3,(H2,14,15,16)/t8-,9-/m1/s1
InChIKeyYBLVFYHCDLXAIF-RKDXNWHRSA-N
MW275.31 g/mol
LogP1.31
Rot. Bonds3

About methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate

methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate (PubChem CID 15659288) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
PubChem CID15659288
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Namemethyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
SMILESCOC(=O)C[C@@H]1CC[C@@H](n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C13H17N5O2/c1-20-10(19)5-8-2-3-9(4-8)18-7-17-11-12(14)15-6-16-13(11)18/h6-9H,2-5H2,1H3,(H2,14,15,16)/t8-,9-/m1/s1
InChIKeyYBLVFYHCDLXAIF-RKDXNWHRSA-N
XLogP1.31
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine
CID 10475784
[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]methyl N-(2-hydroxybenzoyl)sulfamate
CID 91095094
[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium
CID 173294631
methyl 2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]acetate
CID 131858771
2-[[(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]methoxysulfonylcarbamoyl]phenolate
CID 59848401
methyl 2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate
CID 20779356
methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate
CID 101357912
methyl (1R,3aS,6S,6aR)-6-(6-aminopurin-9-yl)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate
CID 102068004
4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 166634318
9-[3-[2-(dimethylamino)ethoxy]cyclopentyl]purin-6-amine
CID 22985712
2-[3-(6-aminopurin-9-yl)cyclopentyl]oxy-2-phosphonoacetic acid
CID 90178631
methyl 2-[(3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyacetate
CID 118146023

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate (CID 15659288) is methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate is COC(=O)C[C@@H]1CC[C@@H](n2cnc3c(N)ncnc32)C1.
What is the InChIKey of methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate?
The InChIKey is YBLVFYHCDLXAIF-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-20-10(19)5-8-2-3-9(4-8)18-7-17-11-12(14)15-6-16-13(11)18/h6-9H,2-5H2,1H3,(H2,14,15,16)/t8-,9-/m1/s1.
What are the key properties of methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate?
methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate has a molecular weight of 275.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate is sourced from PubChem (CID 15659288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).