2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid

C13H19N3O6 — CID 24831832

IUPAC2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid
SMILESCC(C)n1c(O)c(C(=O)NCC(=O)O)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C13H19N3O6/c1-6(2)15-11(20)9(10(19)14-5-8(17)18)12(21)16(7(3)4)13(15)22/h6-7,20H,5H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyQAPOBMXHGBVTGU-UHFFFAOYSA-N
MW313.31 g/mol
LogP-0.31
Rot. Bonds5

About 2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid

2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 24831832) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid
PubChem CID24831832
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC Name2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid
SMILESCC(C)n1c(O)c(C(=O)NCC(=O)O)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C13H19N3O6/c1-6(2)15-11(20)9(10(19)14-5-8(17)18)12(21)16(7(3)4)13(15)22/h6-7,20H,5H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyQAPOBMXHGBVTGU-UHFFFAOYSA-N
XLogP-0.31
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid (CID 24831832) is 2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid is CC(C)n1c(O)c(C(=O)NCC(=O)O)c(=O)n(C(C)C)c1=O.
What is the InChIKey of 2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is QAPOBMXHGBVTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6/c1-6(2)15-11(20)9(10(19)14-5-8(17)18)12(21)16(7(3)4)13(15)22/h6-7,20H,5H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 313.31 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-2,6-dioxo-1,3-di(propan-2-yl)pyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 24831832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).