ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate

C13H17N3O5 — CID 95987859

IUPACethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate
SMILESCCOC(=O)[C@@H](N1CCCC1=O)n1c(=O)[nH]cc(C)c1=O
InChIInChI=1S/C13H17N3O5/c1-3-21-12(19)10(15-6-4-5-9(15)17)16-11(18)8(2)7-14-13(16)20/h7,10H,3-6H2,1-2H3,(H,14,20)/t10-/m0/s1
InChIKeyRATOQJMAUBDNLC-JTQLQIEISA-N
MW295.30 g/mol
LogP-0.47
Rot. Bonds4

About ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate

ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate (PubChem CID 95987859) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate
PubChem CID95987859
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Nameethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate
SMILESCCOC(=O)[C@@H](N1CCCC1=O)n1c(=O)[nH]cc(C)c1=O
InChIInChI=1S/C13H17N3O5/c1-3-21-12(19)10(15-6-4-5-9(15)17)16-11(18)8(2)7-14-13(16)20/h7,10H,3-6H2,1-2H3,(H,14,20)/t10-/m0/s1
InChIKeyRATOQJMAUBDNLC-JTQLQIEISA-N
XLogP-0.47
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate with MolForge

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Related Compounds

Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
2-[2-(5-Methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]acetic acid
CID 89904170
Propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 68674508
Ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-prop-2-ynylamino]acetate
CID 101549626
Ethyl 2-[5-(aminomethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 123627599
Ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate
CID 81297003
Ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 81297634
ethyl (5-iodo-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)(2-oxo-1-pyrrolidinyl)acetate
CID 11835214
Propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 60734743
methyl (2R,4R)-4-acetyloxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 101456607
methyl (2S,4R)-4-acetyloxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 101456608

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate?
The IUPAC name of ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate (CID 95987859) is ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate.
What is the SMILES notation for ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate?
The canonical SMILES for ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate is CCOC(=O)[C@@H](N1CCCC1=O)n1c(=O)[nH]cc(C)c1=O.
What is the InChIKey of ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate?
The InChIKey is RATOQJMAUBDNLC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O5/c1-3-21-12(19)10(15-6-4-5-9(15)17)16-11(18)8(2)7-14-13(16)20/h7,10H,3-6H2,1-2H3,(H,14,20)/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate?
ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate has a molecular weight of 295.30 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 95987859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).