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

C11H15N3O5 — CID 55003742

IUPACethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-3-19-10(17)6-14(2)9(16)5-7-4-8(15)13-11(18)12-7/h4H,3,5-6H2,1-2H3,(H2,12,13,15,18)
InChIKeyXHZVRSUUHLHJQR-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.37
Rot. Bonds5

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

ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate (PubChem CID 55003742) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate
PubChem CID55003742
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Nameethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-3-19-10(17)6-14(2)9(16)5-7-4-8(15)13-11(18)12-7/h4H,3,5-6H2,1-2H3,(H2,12,13,15,18)
InChIKeyXHZVRSUUHLHJQR-UHFFFAOYSA-N
XLogP-1.37
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
Isopropyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-1-yl)acetate
CID 12129795
(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)acetic acid methyl ester
CID 15047492
Ethyl (6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetate
CID 23244914
methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate
CID 138968519
ethyl 2-(6-but-3-enyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968655
ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968656
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264617
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 2149978
methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate
CID 22075431
ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate
CID 141447217
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 2149977

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate (CID 55003742) is ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate?
The InChIKey is XHZVRSUUHLHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-19-10(17)6-14(2)9(16)5-7-4-8(15)13-11(18)12-7/h4H,3,5-6H2,1-2H3,(H2,12,13,15,18).
What are the key properties of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate?
ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate has a molecular weight of 269.26 g/mol, XLogP of -1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate is sourced from PubChem (CID 55003742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).