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

C11H15N3O5 — CID 62044591

IUPAC4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-11(2,4-3-8(16)17)14-9(18)6-5-7(15)13-10(19)12-6/h5H,3-4H2,1-2H3,(H,14,18)(H,16,17)(H2,12,13,15,19)
InChIKeyRSZBKLRJJALNJJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.56
Rot. Bonds5

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

4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 62044591) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
PubChem CID62044591
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-11(2,4-3-8(16)17)14-9(18)6-5-7(15)13-10(19)12-6/h5H,3-4H2,1-2H3,(H,14,18)(H,16,17)(H2,12,13,15,19)
InChIKeyRSZBKLRJJALNJJ-UHFFFAOYSA-N
XLogP-0.56
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid (CID 62044591) is 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is RSZBKLRJJALNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2,4-3-8(16)17)14-9(18)6-5-7(15)13-10(19)12-6/h5H,3-4H2,1-2H3,(H,14,18)(H,16,17)(H2,12,13,15,19).
What are the key properties of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid?
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62044591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).