2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid

C11H15N3O5 — CID 60829902

IUPAC2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-3-6(2)14(5-9(16)17)10(18)7-4-8(15)13-11(19)12-7/h4,6H,3,5H2,1-2H3,(H,16,17)(H2,12,13,15,19)
InChIKeyUCALUMIVVIYZIS-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.61
Rot. Bonds5

About 2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid

2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 60829902) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
PubChem CID60829902
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-3-6(2)14(5-9(16)17)10(18)7-4-8(15)13-11(19)12-7/h4,6H,3,5H2,1-2H3,(H,16,17)(H2,12,13,15,19)
InChIKeyUCALUMIVVIYZIS-UHFFFAOYSA-N
XLogP-0.61
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 ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid (CID 60829902) is 2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The InChIKey is UCALUMIVVIYZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-6(2)14(5-9(16)17)10(18)7-4-8(15)13-11(19)12-7/h4,6H,3,5H2,1-2H3,(H,16,17)(H2,12,13,15,19).
What are the key properties of 2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 60829902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).