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

C11H15N3O5 — CID 62819896

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-11(2,9(17)18)14(3)8(16)5-6-4-7(15)13-10(19)12-6/h4H,5H2,1-3H3,(H,17,18)(H2,12,13,15,19)
InChIKeyQMQQUPRCZDSZFZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.07
Rot. Bonds4

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

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62819896) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID62819896
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-11(2,9(17)18)14(3)8(16)5-6-4-7(15)13-10(19)12-6/h4H,5H2,1-3H3,(H,17,18)(H2,12,13,15,19)
InChIKeyQMQQUPRCZDSZFZ-UHFFFAOYSA-N
XLogP-1.07
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
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]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid (CID 62819896) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is QMQQUPRCZDSZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2,9(17)18)14(3)8(16)5-6-4-7(15)13-10(19)12-6/h4H,5H2,1-3H3,(H,17,18)(H2,12,13,15,19).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 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]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62819896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).