ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate

C17H19N3O5 — CID 108801666

IUPACethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate
SMILESCCOC(=O)C(NC(=O)CCn1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C17H19N3O5/c1-2-25-16(23)15(12-6-4-3-5-7-12)18-13(21)8-10-20-11-9-14(22)19-17(20)24/h3-7,9,11,15H,2,8,10H2,1H3,(H,18,21)(H,19,22,24)
InChIKeyBVUJWDLXGRJOJY-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.35
Rot. Bonds7

About ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate

ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate (PubChem CID 108801666) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate
PubChem CID108801666
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Nameethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate
SMILESCCOC(=O)C(NC(=O)CCn1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C17H19N3O5/c1-2-25-16(23)15(12-6-4-3-5-7-12)18-13(21)8-10-20-11-9-14(22)19-17(20)24/h3-7,9,11,15H,2,8,10H2,1H3,(H,18,21)(H,19,22,24)
InChIKeyBVUJWDLXGRJOJY-UHFFFAOYSA-N
XLogP0.35
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide
CID 91797052
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-4-methylsulfanylbutanoic acid
CID 108788660
N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801533
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
methyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate
CID 108801562
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
CID 119706676
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632771
ethyl 4-(butanoylamino)-3-oxo-4-phenylbutanoate
CID 102588141
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120
(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 61143217
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate?
The IUPAC name of ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate (CID 108801666) is ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate is CCOC(=O)C(NC(=O)CCn1ccc(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate?
The InChIKey is BVUJWDLXGRJOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-2-25-16(23)15(12-6-4-3-5-7-12)18-13(21)8-10-20-11-9-14(22)19-17(20)24/h3-7,9,11,15H,2,8,10H2,1H3,(H,18,21)(H,19,22,24).
What are the key properties of ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate?
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate has a molecular weight of 345.36 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate is sourced from PubChem (CID 108801666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).