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

C11H15N3O5 — CID 55008446

IUPAC3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-6(10(17)18)5-14(2)9(16)4-7-3-8(15)13-11(19)12-7/h3,6H,4-5H2,1-2H3,(H,17,18)(H2,12,13,15,19)
InChIKeyYGWFBDOXZKFCAS-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.22
Rot. Bonds5

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

3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 55008446) 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]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID55008446
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-6(10(17)18)5-14(2)9(16)4-7-3-8(15)13-11(19)12-7/h3,6H,4-5H2,1-2H3,(H,17,18)(H2,12,13,15,19)
InChIKeyYGWFBDOXZKFCAS-UHFFFAOYSA-N
XLogP-1.22
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid (CID 55008446) is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=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]-methylamino]-2-methylpropanoic acid?
The InChIKey is YGWFBDOXZKFCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-6(10(17)18)5-14(2)9(16)4-7-3-8(15)13-11(19)12-7/h3,6H,4-5H2,1-2H3,(H,17,18)(H2,12,13,15,19).
What are the key properties of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid?
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 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]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55008446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).