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

C11H13N3O7 — CID 62953309

IUPACmethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O7/c1-20-7(15)4-14(5-8(16)21-2)10(18)6-3-12-11(19)13-9(6)17/h3H,4-5H2,1-2H3,(H2,12,13,17,19)
InChIKeyIFNPAIHAAJCZJL-UHFFFAOYSA-N
MW299.24 g/mol
LogP-2.15
Rot. Bonds5

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

methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62953309) has the molecular formula C11H13N3O7 and a molecular weight of 299.24 g/mol. Its IUPAC name is methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62953309
Molecular FormulaC11H13N3O7
Molecular Weight299.24 g/mol
Exact Mass299.08
IUPAC Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O7/c1-20-7(15)4-14(5-8(16)21-2)10(18)6-3-12-11(19)13-9(6)17/h3H,4-5H2,1-2H3,(H2,12,13,17,19)
InChIKeyIFNPAIHAAJCZJL-UHFFFAOYSA-N
XLogP-2.15
TPSA138.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 62953309) is methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is IFNPAIHAAJCZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O7/c1-20-7(15)4-14(5-8(16)21-2)10(18)6-3-12-11(19)13-9(6)17/h3H,4-5H2,1-2H3,(H2,12,13,17,19).
What are the key properties of methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 299.24 g/mol, XLogP of -2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62953309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).