methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate

C13H19N3O5 — CID 43623986

IUPACmethyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)OC
InChIInChI=1S/C13H19N3O5/c1-4-6-13(2,11(19)21-3)15-10(18)8-16-7-5-9(17)14-12(16)20/h5,7H,4,6,8H2,1-3H3,(H,15,18)(H,14,17,20)
InChIKeyCSXOPXPDGMEOJC-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.62
Rot. Bonds6

About methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate

methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate (PubChem CID 43623986) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate
PubChem CID43623986
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Namemethyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)OC
InChIInChI=1S/C13H19N3O5/c1-4-6-13(2,11(19)21-3)15-10(18)8-16-7-5-9(17)14-12(16)20/h5,7H,4,6,8H2,1-3H3,(H,15,18)(H,14,17,20)
InChIKeyCSXOPXPDGMEOJC-UHFFFAOYSA-N
XLogP-0.62
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate with MolForge

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Related Compounds

2-Methoxyethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
CID 70522905
2-methoxyethyl (2R)-2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
CID 70522906
methyl (2R)-2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 60024344
methyl (2S)-2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 60077381
methyl (2S)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 155378646
Methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 170049893
Methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 20823423
1-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43169544
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
2-Cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43172543
4-Methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43353314
3-Methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43356482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate (CID 43623986) is methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate?
The InChIKey is CSXOPXPDGMEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-4-6-13(2,11(19)21-3)15-10(18)8-16-7-5-9(17)14-12(16)20/h5,7H,4,6,8H2,1-3H3,(H,15,18)(H,14,17,20).
What are the key properties of methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate?
methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate has a molecular weight of 297.31 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate is sourced from PubChem (CID 43623986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).