[2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate

C12H19N3O5 — CID 153342480

IUPAC[2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate
SMILESCOC(CCn1cc(C)c(=O)[nH]c1=O)COC(=O)CN
InChIInChI=1S/C12H19N3O5/c1-8-6-15(12(18)14-11(8)17)4-3-9(19-2)7-20-10(16)5-13/h6,9H,3-5,7,13H2,1-2H3,(H,14,17,18)
InChIKeyOJEZGFXGGYYTQH-UHFFFAOYSA-N
MW285.30 g/mol
LogP-1.25
Rot. Bonds7

About [2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate

[2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate (PubChem CID 153342480) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate.

Molecular Properties

Compound Name[2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate
PubChem CID153342480
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name[2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate
SMILESCOC(CCn1cc(C)c(=O)[nH]c1=O)COC(=O)CN
InChIInChI=1S/C12H19N3O5/c1-8-6-15(12(18)14-11(8)17)4-3-9(19-2)7-20-10(16)5-13/h6,9H,3-5,7,13H2,1-2H3,(H,14,17,18)
InChIKeyOJEZGFXGGYYTQH-UHFFFAOYSA-N
XLogP-1.25
TPSA116.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 2-methoxyacetate
CID 172580838
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium
CID 7289782
1-[3-methoxy-4-[(6-methyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]butyl]-5-methylpyrimidine-2,4-dione
CID 171528676
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
2,4-dimethylpentan-3-yl [4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] carbonate
CID 172580747
N-methyl-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-oxoazetidin-1-yl)butanamide
CID 10851315
2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethylsulfanyl acetate
CID 151243454
1-(3-fluoropropyl)-5-methylpyrimidine-2,4-dione;methoxymethylphosphonous acid
CID 142308782

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate?
The IUPAC name of [2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate (CID 153342480) is [2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate.
What is the SMILES notation for [2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate?
The canonical SMILES for [2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate is COC(CCn1cc(C)c(=O)[nH]c1=O)COC(=O)CN.
What is the InChIKey of [2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate?
The InChIKey is OJEZGFXGGYYTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-8-6-15(12(18)14-11(8)17)4-3-9(19-2)7-20-10(16)5-13/h6,9H,3-5,7,13H2,1-2H3,(H,14,17,18).
What are the key properties of [2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate?
[2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate has a molecular weight of 285.30 g/mol, XLogP of -1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl] 2-aminoacetate is sourced from PubChem (CID 153342480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).