3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid

C11H15N3O5 — CID 115427228

IUPAC3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-11(2,9(17)18)5-12-7(15)3-6-4-8(16)14-10(19)13-6/h4H,3,5H2,1-2H3,(H,12,15)(H,17,18)(H2,13,14,16,19)
InChIKeyOTSCPPXWMNMPPA-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.17
Rot. Bonds5

About 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid

3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 115427228) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
PubChem CID115427228
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-11(2,9(17)18)5-12-7(15)3-6-4-8(16)14-10(19)13-6/h4H,3,5H2,1-2H3,(H,12,15)(H,17,18)(H2,13,14,16,19)
InChIKeyOTSCPPXWMNMPPA-UHFFFAOYSA-N
XLogP-1.17
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid with MolForge

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylacetamide
CID 2149960
N-butyl-2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetamide
CID 2149962
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-hydroxypropyl)acetamide
CID 2149964
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide
CID 60704693
2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
CID 71019141
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354113
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 43354559
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43354912
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43355166
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43355430
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid
CID 43356391

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid (CID 115427228) is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is OTSCPPXWMNMPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2,9(17)18)5-12-7(15)3-6-4-8(16)14-10(19)13-6/h4H,3,5H2,1-2H3,(H,12,15)(H,17,18)(H2,13,14,16,19).
What are the key properties of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).