6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid

C13H19N3O5 — CID 65285613

IUPAC6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O5/c1-7(12(19)20)4-3-5-8(2)15-10(17)9-6-14-13(21)16-11(9)18/h6-8H,3-5H2,1-2H3,(H,15,17)(H,19,20)(H2,14,16,18,21)
InChIKeyPXJPOKJKHLJIJF-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.07
Rot. Bonds7

About 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid

6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid (PubChem CID 65285613) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid
PubChem CID65285613
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O5/c1-7(12(19)20)4-3-5-8(2)15-10(17)9-6-14-13(21)16-11(9)18/h6-8H,3-5H2,1-2H3,(H,15,17)(H,19,20)(H2,14,16,18,21)
InChIKeyPXJPOKJKHLJIJF-UHFFFAOYSA-N
XLogP0.07
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid (CID 65285613) is 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid?
The InChIKey is PXJPOKJKHLJIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-7(12(19)20)4-3-5-8(2)15-10(17)9-6-14-13(21)16-11(9)18/h6-8H,3-5H2,1-2H3,(H,15,17)(H,19,20)(H2,14,16,18,21).
What are the key properties of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid?
6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.07, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65285613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).