ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate

C13H17N3O5 — CID 47794810

IUPACethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Cn1ccc(=O)[nH]c1=O)C1CC1
InChIInChI=1S/C13H17N3O5/c1-2-21-12(19)8-16(9-3-4-9)11(18)7-15-6-5-10(17)14-13(15)20/h5-6,9H,2-4,7-8H2,1H3,(H,14,17,20)
InChIKeyWSLPWGGHEXARLU-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.91
Rot. Bonds6

About ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate

ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 47794810) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID47794810
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Nameethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Cn1ccc(=O)[nH]c1=O)C1CC1
InChIInChI=1S/C13H17N3O5/c1-2-21-12(19)8-16(9-3-4-9)11(18)7-15-6-5-10(17)14-13(15)20/h5-6,9H,2-4,7-8H2,1H3,(H,14,17,20)
InChIKeyWSLPWGGHEXARLU-UHFFFAOYSA-N
XLogP-0.91
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37484139
ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate
CID 54984137
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
CID 54901429
ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate
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CID 47981242
ethyl 2-[cyclopropyl-[3-(4-methylphenyl)prop-2-enoyl]amino]acetate
CID 76903584
methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate
CID 61010746
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 34500280
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
CID 54979510
ethyl 3-(4-oxo-2-sulfanylidenepyrimidin-1-yl)propanoate
CID 62402562

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate (CID 47794810) is ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate is CCOC(=O)CN(C(=O)Cn1ccc(=O)[nH]c1=O)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is WSLPWGGHEXARLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-2-21-12(19)8-16(9-3-4-9)11(18)7-15-6-5-10(17)14-13(15)20/h5-6,9H,2-4,7-8H2,1H3,(H,14,17,20).
What are the key properties of ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 295.30 g/mol, XLogP of -0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 47794810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).