[(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate

C17H25N5O4 — CID 164882383

IUPAC[(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate
SMILESCCOc1nc(N)nc2c1ncn2[C@@]1(C)CCC(COC(=O)C(C)C)O1
InChIInChI=1S/C17H25N5O4/c1-5-24-14-12-13(20-16(18)21-14)22(9-19-12)17(4)7-6-11(26-17)8-25-15(23)10(2)3/h9-11H,5-8H2,1-4H3,(H2,18,20,21)/t11?,17-/m1/s1
InChIKeyMMUOUQVTUKWILP-DFDFJRDNSA-N
MW363.42 g/mol
LogP1.86
Rot. Bonds6

About [(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate

[(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate (PubChem CID 164882383) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is [(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate
PubChem CID164882383
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name[(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate
SMILESCCOc1nc(N)nc2c1ncn2[C@@]1(C)CCC(COC(=O)C(C)C)O1
InChIInChI=1S/C17H25N5O4/c1-5-24-14-12-13(20-16(18)21-14)22(9-19-12)17(4)7-6-11(26-17)8-25-15(23)10(2)3/h9-11H,5-8H2,1-4H3,(H2,18,20,21)/t11?,17-/m1/s1
InChIKeyMMUOUQVTUKWILP-DFDFJRDNSA-N
XLogP1.86
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl (2S)-2-[[(3R,5R,7R,8S,9S)-9-[(2-amino-6-ethoxypurin-9-yl)methyl]-8-fluoro-8-methyl-5-oxo-4,6,10-trioxa-5λ5-phosphatricyclo[5.3.0.01,3]decan-5-yl]amino]propanoate
CID 149335832
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-chloro-4-methyloxolan-2-yl]methoxy-N-[(2R)-3,3-dimethyl-1-(2-methylpropanoyloxy)butan-2-yl]phosphonamidic acid
CID 134425142
[5-(2-amino-6-methoxypurin-9-yl)-5-ethynyloxolan-2-yl]methoxy-bis(2,2-dimethylpropanoyloxymethoxy)-hydroxyphosphanium
CID 164882129
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 66576345
[(2S)-2-[[(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxypurin-9-yl)-7-fluoro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]butyl] 2-methylpropanoate
CID 118311530
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
[(2S)-2-[[(2R,4aR,6R,7R,7aR)-6-(2-amino-6-ethoxypurin-9-yl)-7-chloro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]-3-methylbutyl] 2-methylpropanoate
CID 118966225
(4aR,6R,7R,7aR)-6-(2-amino-6-ethoxypurin-9-yl)-7-methyl-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-7-ol
CID 158807539
(2R)-2-(2-amino-6-ethoxypurin-9-yl)-2-[[(4S,5S)-5-fluoro-4-methyl-2-oxo-2-propan-2-yloxy-1,3,2λ5-dioxaphosphinan-5-yl]oxy]ethanol
CID 174067117
[2-[[(2R,4aR,6R,7R,7aR)-6-(2-amino-6-ethoxypurin-9-yl)-7-chloro-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]-3,3-dimethylbutyl] 2-methylpropanoate
CID 123752513
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
CID 90382802
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57116771

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate?
The IUPAC name of [(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate (CID 164882383) is [(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate.
What is the SMILES notation for [(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate?
The canonical SMILES for [(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate is CCOc1nc(N)nc2c1ncn2[C@@]1(C)CCC(COC(=O)C(C)C)O1.
What is the InChIKey of [(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate?
The InChIKey is MMUOUQVTUKWILP-DFDFJRDNSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-5-24-14-12-13(20-16(18)21-14)22(9-19-12)17(4)7-6-11(26-17)8-25-15(23)10(2)3/h9-11H,5-8H2,1-4H3,(H2,18,20,21)/t11?,17-/m1/s1.
What are the key properties of [(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate?
[(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate has a molecular weight of 363.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(2-amino-6-ethoxypurin-9-yl)-5-methyloxolan-2-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 164882383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).