methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate

C11H15N3O5 — CID 43409422

IUPACmethyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-6-7(10(17)14-11(18)13-6)3-4-8(15)12-5-9(16)19-2/h3-5H2,1-2H3,(H,12,15)(H2,13,14,17,18)
InChIKeyYHAAEBJNMQOPMR-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.41
Rot. Bonds5

About methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate

methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate (PubChem CID 43409422) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate
PubChem CID43409422
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate
SMILESCOC(=O)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-6-7(10(17)14-11(18)13-6)3-4-8(15)12-5-9(16)19-2/h3-5H2,1-2H3,(H,12,15)(H2,13,14,17,18)
InChIKeyYHAAEBJNMQOPMR-UHFFFAOYSA-N
XLogP-1.41
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate?
The IUPAC name of methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate (CID 43409422) is methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate.
What is the SMILES notation for methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate?
The canonical SMILES for methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate is COC(=O)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate?
The InChIKey is YHAAEBJNMQOPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-6-7(10(17)14-11(18)13-6)3-4-8(15)12-5-9(16)19-2/h3-5H2,1-2H3,(H,12,15)(H2,13,14,17,18).
What are the key properties of methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate?
methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate has a molecular weight of 269.26 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetate is sourced from PubChem (CID 43409422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).