4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

C10H13N3O6 — CID 66002899

IUPAC4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)CC(=O)O
InChIInChI=1S/C10H13N3O6/c1-10(19,3-7(15)16)4-11-8(17)5-2-6(14)13-9(18)12-5/h2,19H,3-4H2,1H3,(H,11,17)(H,15,16)(H2,12,13,14,18)
InChIKeyJYLOODULTMRDFE-UHFFFAOYSA-N
MW271.23 g/mol
LogP-1.98
Rot. Bonds5

About 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66002899) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66002899
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)CC(=O)O
InChIInChI=1S/C10H13N3O6/c1-10(19,3-7(15)16)4-11-8(17)5-2-6(14)13-9(18)12-5/h2,19H,3-4H2,1H3,(H,11,17)(H,15,16)(H2,12,13,14,18)
InChIKeyJYLOODULTMRDFE-UHFFFAOYSA-N
XLogP-1.98
TPSA152.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-1.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 66002899) is 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)CC(=O)O.
What is the InChIKey of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is JYLOODULTMRDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-10(19,3-7(15)16)4-11-8(17)5-2-6(14)13-9(18)12-5/h2,19H,3-4H2,1H3,(H,11,17)(H,15,16)(H2,12,13,14,18).
What are the key properties of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 271.23 g/mol, XLogP of -1.98, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66002899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).