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

C10H13N3O5 — CID 61262249

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-10(2,8(16)17)13-7(15)4-5-3-6(14)12-9(18)11-5/h3H,4H2,1-2H3,(H,13,15)(H,16,17)(H2,11,12,14,18)
InChIKeyHUYFLOSDRLQCEB-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.41
Rot. Bonds4

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

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 61262249) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID61262249
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-10(2,8(16)17)13-7(15)4-5-3-6(14)12-9(18)11-5/h3H,4H2,1-2H3,(H,13,15)(H,16,17)(H2,11,12,14,18)
InChIKeyHUYFLOSDRLQCEB-UHFFFAOYSA-N
XLogP-1.41
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid (CID 61262249) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is HUYFLOSDRLQCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-10(2,8(16)17)13-7(15)4-5-3-6(14)12-9(18)11-5/h3H,4H2,1-2H3,(H,13,15)(H,16,17)(H2,11,12,14,18).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61262249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).