(1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide

C12H15N7O3 — CID 70902213

IUPAC(1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide
SMILESCNC(=O)[C@@]12CN[C@H](C1O)[C@H](n1cnc3c(N)ncnc31)O2
InChIInChI=1S/C12H15N7O3/c1-14-11(21)12-2-15-5(7(12)20)10(22-12)19-4-18-6-8(13)16-3-17-9(6)19/h3-5,7,10,15,20H,2H2,1H3,(H,14,21)(H2,13,16,17)/t5-,7?,10-,12-/m1/s1
InChIKeyUUYOUVMXXJXTSP-IVOINJCQSA-N
MW305.30 g/mol
LogP-2.25
Rot. Bonds2

About (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide

(1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 70902213) has the molecular formula C12H15N7O3 and a molecular weight of 305.30 g/mol. Its IUPAC name is (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide
PubChem CID70902213
Molecular FormulaC12H15N7O3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name(1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide
SMILESCNC(=O)[C@@]12CN[C@H](C1O)[C@H](n1cnc3c(N)ncnc31)O2
InChIInChI=1S/C12H15N7O3/c1-14-11(21)12-2-15-5(7(12)20)10(22-12)19-4-18-6-8(13)16-3-17-9(6)19/h3-5,7,10,15,20H,2H2,1H3,(H,14,21)(H2,13,16,17)/t5-,7?,10-,12-/m1/s1
InChIKeyUUYOUVMXXJXTSP-IVOINJCQSA-N
XLogP-2.25
TPSA140.21 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide with MolForge

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Related Compounds

(2S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-3-hydroxy-4-methoxy-N-methyloxolane-2-carboxamide
CID 70908334
(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 135258372
(5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol
CID 57078975
(3aS,4R,6S)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
CID 90277350
(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
CID 688430
5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
CID 1761
(3aS,4R,6S,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
CID 1277507
(3aR,6S,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
CID 78319242
(3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate
CID 6779534
5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CID 72641180
4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate
CID 3308564
(3R,4R,6R)-6-(6-aminopurin-9-yl)-5-oxaspiro[3.4]octane-3,7,8-triol
CID 174023989

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide (CID 70902213) is (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide is CNC(=O)[C@@]12CN[C@H](C1O)[C@H](n1cnc3c(N)ncnc31)O2.
What is the InChIKey of (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is UUYOUVMXXJXTSP-IVOINJCQSA-N. The full InChI is InChI=1S/C12H15N7O3/c1-14-11(21)12-2-15-5(7(12)20)10(22-12)19-4-18-6-8(13)16-3-17-9(6)19/h3-5,7,10,15,20H,2H2,1H3,(H,14,21)(H2,13,16,17)/t5-,7?,10-,12-/m1/s1.
What are the key properties of (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide?
(1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 305.30 g/mol, XLogP of -2.25, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-3-(6-aminopurin-9-yl)-7-hydroxy-N-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 70902213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).