2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid

C13H20N5O3P — CID 141002966

IUPAC2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid
SMILESCCP(CC)C(OCCn1cnc2c(N)ncnc21)C(=O)O
InChIInChI=1S/C13H20N5O3P/c1-3-22(4-2)13(12(19)20)21-6-5-18-8-17-9-10(14)15-7-16-11(9)18/h7-8,13H,3-6H2,1-2H3,(H,19,20)(H2,14,15,16)
InChIKeyUUCGTSQIRYDPHW-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.36
Rot. Bonds8

About 2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid

2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid (PubChem CID 141002966) has the molecular formula C13H20N5O3P and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid.

Molecular Properties

Compound Name2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid
PubChem CID141002966
Molecular FormulaC13H20N5O3P
Molecular Weight325.31 g/mol
Exact Mass325.13
IUPAC Name2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid
SMILESCCP(CC)C(OCCn1cnc2c(N)ncnc21)C(=O)O
InChIInChI=1S/C13H20N5O3P/c1-3-22(4-2)13(12(19)20)21-6-5-18-8-17-9-10(14)15-7-16-11(9)18/h7-8,13H,3-6H2,1-2H3,(H,19,20)(H2,14,15,16)
InChIKeyUUCGTSQIRYDPHW-UHFFFAOYSA-N
XLogP1.36
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
2-acetyloxy-4-(6-aminopurin-9-yl)butanoic acid
CID 163729575
(2R)-2-[2-(6-aminopurin-9-yl)ethoxy]-2-phosphanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 174377844
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
9-nonylpurin-6-amine
CID 3816519
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142
9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride
CID 126459868
9-[2-(dihydroxyphosphinothioylmethoxy)ethyl]purin-6-amine
CID 54577179
3-(6-aminopurin-9-yl)-1-hexadecoxypropan-1-ol
CID 70306158
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
2-[2-(6-aminopurin-9-yl)ethoxy]ethylphosphonic acid
CID 513622
CID 69303040
CID 69303040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid?
The IUPAC name of 2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid (CID 141002966) is 2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid.
What is the SMILES notation for 2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid?
The canonical SMILES for 2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid is CCP(CC)C(OCCn1cnc2c(N)ncnc21)C(=O)O.
What is the InChIKey of 2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid?
The InChIKey is UUCGTSQIRYDPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N5O3P/c1-3-22(4-2)13(12(19)20)21-6-5-18-8-17-9-10(14)15-7-16-11(9)18/h7-8,13H,3-6H2,1-2H3,(H,19,20)(H2,14,15,16).
What are the key properties of 2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid?
2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid has a molecular weight of 325.31 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid is sourced from PubChem (CID 141002966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).