[(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate

C16H22N2O6 — CID 10991361

IUPAC[(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate
SMILESCCc1cn([C@@H]2C[C@H](COC(C)=O)[C@@H](OC(C)=O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H22N2O6/c1-4-11-7-18(16(22)17-15(11)21)13-5-12(8-23-9(2)19)14(6-13)24-10(3)20/h7,12-14H,4-6,8H2,1-3H3,(H,17,21,22)/t12-,13-,14+/m1/s1
InChIKeyFVWVMUKIDCBXOD-MCIONIFRSA-N
MW338.36 g/mol
LogP0.54
Rot. Bonds5

About [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate

[(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate (PubChem CID 10991361) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate.

Molecular Properties

Compound Name[(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate
PubChem CID10991361
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name[(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate
SMILESCCc1cn([C@@H]2C[C@H](COC(C)=O)[C@@H](OC(C)=O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H22N2O6/c1-4-11-7-18(16(22)17-15(11)21)13-5-12(8-23-9(2)19)14(6-13)24-10(3)20/h7,12-14H,4-6,8H2,1-3H3,(H,17,21,22)/t12-,13-,14+/m1/s1
InChIKeyFVWVMUKIDCBXOD-MCIONIFRSA-N
XLogP0.54
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate with MolForge

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Related Compounds

[(2S,4R,5R)-4-acetyloxy-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 67461363
[(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate
CID 67459679
ethyl (E)-3-[(2R,3S,5R)-3-acetyloxy-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]prop-2-enoate
CID 18633467
[(3S)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70812678
[(2S,4R,5R)-4-acetyloxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 67461244
[(2R,3S,5R)-5-[5-(bromomethyl)-2,4-dioxopyrimidin-1-yl]-3-fluorooxolan-2-yl]methyl acetate
CID 15614057
[3-acetyloxy-5-(5-chloro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 14680144
1-[(1R,3S,4R)-3-methoxy-4-(methoxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 122493318
[(2S,5S)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-[4-(2-methylphenyl)-3-oxobutyl]oxolan-3-yl] acetate
CID 67898232
[(2R,3S,4R,5R)-4-acetyloxy-3-benzylsulfonyloxy-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 141235804
[(2R,3S,5R)-3-acetyloxy-5-[5-(2-bromo-1-fluoroethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
CID 6482247
[(2R,3S,5R)-3-acetyloxy-5-[5-(2,2-dibromoethenyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
CID 72714244

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate?
The IUPAC name of [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate (CID 10991361) is [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate.
What is the SMILES notation for [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate?
The canonical SMILES for [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate is CCc1cn([C@@H]2C[C@H](COC(C)=O)[C@@H](OC(C)=O)C2)c(=O)[nH]c1=O.
What is the InChIKey of [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate?
The InChIKey is FVWVMUKIDCBXOD-MCIONIFRSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-4-11-7-18(16(22)17-15(11)21)13-5-12(8-23-9(2)19)14(6-13)24-10(3)20/h7,12-14H,4-6,8H2,1-3H3,(H,17,21,22)/t12-,13-,14+/m1/s1.
What are the key properties of [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate?
[(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate has a molecular weight of 338.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate is sourced from PubChem (CID 10991361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).