[(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid

C15H25N2O8P — CID 168757176

IUPAC[(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid
SMILESCOC[C@@H](O[C@]1(COC(C)C)CC1CP(=O)(O)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H25N2O8P/c1-10(2)24-9-15(6-11(15)8-26(20,21)22)25-13(7-23-3)17-5-4-12(18)16-14(17)19/h4-5,10-11,13H,6-9H2,1-3H3,(H,16,18,19)(H2,20,21,22)/t11?,13-,15+/m1/s1
InChIKeyAANUKRJZIJDJHP-ICSQTIAXSA-N
MW392.35 g/mol
LogP0.06
Rot. Bonds10

About [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid

[(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid (PubChem CID 168757176) has the molecular formula C15H25N2O8P and a molecular weight of 392.35 g/mol. Its IUPAC name is [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid.

Molecular Properties

Compound Name[(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid
PubChem CID168757176
Molecular FormulaC15H25N2O8P
Molecular Weight392.35 g/mol
Exact Mass392.13
IUPAC Name[(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid
SMILESCOC[C@@H](O[C@]1(COC(C)C)CC1CP(=O)(O)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H25N2O8P/c1-10(2)24-9-15(6-11(15)8-26(20,21)22)25-13(7-23-3)17-5-4-12(18)16-14(17)19/h4-5,10-11,13H,6-9H2,1-3H3,(H,16,18,19)(H2,20,21,22)/t11?,13-,15+/m1/s1
InChIKeyAANUKRJZIJDJHP-ICSQTIAXSA-N
XLogP0.06
TPSA140.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-[(1R,2R)-2-(2,4-dioxopyrimidin-1-yl)-1,2-dimethoxyethyl]-2-methoxycyclopropyl]methylphosphonic acid
CID 170291832
1-[1-(2-hydroxyethoxy)-2-methoxyethyl]pyrimidine-2,4-dione
CID 167508864
1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 174092745
1-[(1R)-1-[(2S)-1-[hydroxy(2-hydroxyethyl)phosphinothioyl]oxy-3-methoxypropan-2-yl]oxy-2-methoxyethyl]pyrimidine-2,4-dione
CID 170179484
(2S)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]butanal
CID 159995900
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-[(1R)-1-[(E,2R)-4-dimethoxyphosphoryl-1-(2-hydroxyethoxy)but-3-en-2-yl]oxy-2-hydroxyethyl]pyrimidine-2,4-dione
CID 163767382
[3-(2,4-dioxopyrimidin-1-yl)-4-hydroxybutoxy]methylphosphonic acid
CID 11254871
[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid
CID 146549589
[(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid
CID 10638490
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid?
The IUPAC name of [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid (CID 168757176) is [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid.
What is the SMILES notation for [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid?
The canonical SMILES for [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid is COC[C@@H](O[C@]1(COC(C)C)CC1CP(=O)(O)O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid?
The InChIKey is AANUKRJZIJDJHP-ICSQTIAXSA-N. The full InChI is InChI=1S/C15H25N2O8P/c1-10(2)24-9-15(6-11(15)8-26(20,21)22)25-13(7-23-3)17-5-4-12(18)16-14(17)19/h4-5,10-11,13H,6-9H2,1-3H3,(H,16,18,19)(H2,20,21,22)/t11?,13-,15+/m1/s1.
What are the key properties of [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid?
[(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid has a molecular weight of 392.35 g/mol, XLogP of 0.06, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]-2-(propan-2-yloxymethyl)cyclopropyl]methylphosphonic acid is sourced from PubChem (CID 168757176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).