(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide

C11H14N6O3 — CID 57098352

IUPAC(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14N6O3/c12-9-6-11(15-2-14-9)17(3-16-6)5-1-4(10(13)20)7(18)8(5)19/h2-5,7-8,18-19H,1H2,(H2,13,20)(H2,12,14,15)/t4-,5+,7+,8-/m1/s1
InChIKeyIUKWIXJDTLQFPN-HETMPLHPSA-N
MW278.27 g/mol
LogP-1.82
Rot. Bonds2

About (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide

(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide (PubChem CID 57098352) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
PubChem CID57098352
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14N6O3/c12-9-6-11(15-2-14-9)17(3-16-6)5-1-4(10(13)20)7(18)8(5)19/h2-5,7-8,18-19H,1H2,(H2,13,20)(H2,12,14,15)/t4-,5+,7+,8-/m1/s1
InChIKeyIUKWIXJDTLQFPN-HETMPLHPSA-N
XLogP-1.82
TPSA153.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide with MolForge

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Related Compounds

(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 23241675
butyl 4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylate
CID 19996044
[(1S,2S,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl] 2,2-dimethylpropanoate
CID 11142243
(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-[(E)-2-fluoroethenyl]cyclopentane-1,2-diol
CID 10660300
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
[(2R,3S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl dihydrogen phosphate
CID 15954478
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
(2S,3S,4S,5R,6R)-6-(6-aminopurin-9-yl)-3,4,5-trihydroxyoxane-2-carboxamide
CID 131852589
cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
CID 11987727
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 10660443
[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide?
The IUPAC name of (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide (CID 57098352) is (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide?
The canonical SMILES for (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide is NC(=O)[C@@H]1C[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide?
The InChIKey is IUKWIXJDTLQFPN-HETMPLHPSA-N. The full InChI is InChI=1S/C11H14N6O3/c12-9-6-11(15-2-14-9)17(3-16-6)5-1-4(10(13)20)7(18)8(5)19/h2-5,7-8,18-19H,1H2,(H2,13,20)(H2,12,14,15)/t4-,5+,7+,8-/m1/s1.
What are the key properties of (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide?
(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide has a molecular weight of 278.27 g/mol, XLogP of -1.82, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 57098352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).