methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate

C9H11N3O5 — CID 43623290

IUPACmethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-17-8(15)4-10-6(13)2-5-3-7(14)12-9(16)11-5/h3H,2,4H2,1H3,(H,10,13)(H2,11,12,14,16)
InChIKeyVZZIGLQECCTTNP-UHFFFAOYSA-N
MW241.20 g/mol
LogP-2.11
Rot. Bonds4

About methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate

methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate (PubChem CID 43623290) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate
PubChem CID43623290
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-17-8(15)4-10-6(13)2-5-3-7(14)12-9(16)11-5/h3H,2,4H2,1H3,(H,10,13)(H2,11,12,14,16)
InChIKeyVZZIGLQECCTTNP-UHFFFAOYSA-N
XLogP-2.11
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate (CID 43623290) is methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate?
The InChIKey is VZZIGLQECCTTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-17-8(15)4-10-6(13)2-5-3-7(14)12-9(16)11-5/h3H,2,4H2,1H3,(H,10,13)(H2,11,12,14,16).
What are the key properties of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate?
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate has a molecular weight of 241.20 g/mol, XLogP of -2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate is sourced from PubChem (CID 43623290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).