methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate

C9H11N3O5 — CID 43407388

IUPACmethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H11N3O5/c1-12(4-6(13)17-2)8(15)5-3-10-9(16)11-7(5)14/h3H,4H2,1-2H3,(H2,10,11,14,16)
InChIKeyVPVGVYUEQUKJEF-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.69
Rot. Bonds3

About methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate

methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate (PubChem CID 43407388) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate
PubChem CID43407388
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H11N3O5/c1-12(4-6(13)17-2)8(15)5-3-10-9(16)11-7(5)14/h3H,4H2,1-2H3,(H2,10,11,14,16)
InChIKeyVPVGVYUEQUKJEF-UHFFFAOYSA-N
XLogP-1.69
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 2822103
Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
CID 901779
Ethyl 2-[5-[2-[2-[[1-(2-ethoxy-2-oxoethyl)-2,4-dioxopyrimidine-5-carbonyl]amino]ethoxy]ethylcarbamoyl]-2,4-dioxopyrimidin-1-yl]acetate
CID 25185738
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692
(6-Hydroxy-1,3-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidine-5-Carbonyl)glycine
CID 131700132
n3-Carboxymethylthymine
CID 15747554
methyl 3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoate
CID 69940201
Ethyl 2-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]acetate
CID 169084304
Propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 68674508
[2-(5-Methyl-2,4-dioxopyrimidin-1-yl)acetyl] 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 123190996

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate (CID 43407388) is methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate?
The InChIKey is VPVGVYUEQUKJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-12(4-6(13)17-2)8(15)5-3-10-9(16)11-7(5)14/h3H,4H2,1-2H3,(H2,10,11,14,16).
What are the key properties of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate?
methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate has a molecular weight of 241.20 g/mol, XLogP of -1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetate is sourced from PubChem (CID 43407388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).