2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate

C11H15N5O4 — CID 5271673

IUPAC2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
SMILESCOCCOC(=O)C(O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C11H15N5O4/c1-19-2-3-20-11(18)7(17)4-16-6-15-8-9(12)13-5-14-10(8)16/h5-7,17H,2-4H2,1H3,(H2,12,13,14)
InChIKeyGZYQTOJIOFPWLI-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.04
Rot. Bonds6

About 2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate

2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate (PubChem CID 5271673) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
PubChem CID5271673
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
SMILESCOCCOC(=O)C(O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C11H15N5O4/c1-19-2-3-20-11(18)7(17)4-16-6-15-8-9(12)13-5-14-10(8)16/h5-7,17H,2-4H2,1H3,(H2,12,13,14)
InChIKeyGZYQTOJIOFPWLI-UHFFFAOYSA-N
XLogP-1.04
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
[(2S)-3-(6-aminopurin-9-yl)-2-hydroxypropyl]phosphonic acid
CID 135336572
2-[2-[(2S)-2-amino-3-methylbutanoyl]oxyethoxy-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl]phosphoryl]oxyethyl (2S)-2-amino-3-methylbutanoate
CID 155533865
2-[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxyethylphosphonic acid;ethane
CID 143297032
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
[(3R)-4-(6-aminopurin-9-yl)-3-hydroxybutyl]phosphonic acid
CID 146313430
prop-2-enyl (2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 131879127
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;oxalic acid
CID 56961670
[(E,3R)-4-(6-aminopurin-9-yl)-3-hydroxybut-1-enyl]phosphonic acid
CID 67880433
2-acetamido-3-(6-aminopurin-9-yl)propanoic acid
CID 64580913

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate?
The IUPAC name of 2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate (CID 5271673) is 2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate.
What is the SMILES notation for 2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate?
The canonical SMILES for 2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate is COCCOC(=O)C(O)Cn1cnc2c(N)ncnc21.
What is the InChIKey of 2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate?
The InChIKey is GZYQTOJIOFPWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-19-2-3-20-11(18)7(17)4-16-6-15-8-9(12)13-5-14-10(8)16/h5-7,17H,2-4H2,1H3,(H2,12,13,14).
What are the key properties of 2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate?
2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate has a molecular weight of 281.27 g/mol, XLogP of -1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate is sourced from PubChem (CID 5271673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).