3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid

C13H19N3O5 — CID 65492254

IUPAC3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1c[nH]c(=O)[nH]c1=O)CC(=O)O
InChIInChI=1S/C13H19N3O5/c1-7(2)3-8(4-10(17)18)5-14-11(19)9-6-15-13(21)16-12(9)20/h6-8H,3-5H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20,21)
InChIKeyVGSHGUQJECZDCF-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.07
Rot. Bonds7

About 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid

3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid (PubChem CID 65492254) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid
PubChem CID65492254
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1c[nH]c(=O)[nH]c1=O)CC(=O)O
InChIInChI=1S/C13H19N3O5/c1-7(2)3-8(4-10(17)18)5-14-11(19)9-6-15-13(21)16-12(9)20/h6-8H,3-5H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20,21)
InChIKeyVGSHGUQJECZDCF-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid with MolForge

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Related Compounds

3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62675489
N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 65034365
3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492460
5-methyl-3-[[(2-methylfuran-3-carbonyl)amino]methyl]hexanoic acid
CID 65494748
3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-ethylamino]butanoic acid
CID 62821900
5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492048
(3S)-3-[[(2,6-dihydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 107688084
3-methyl-4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 81063015
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
CID 61174306
(3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid
CID 99933375
(3S)-3-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 115298558
3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492259

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid (CID 65492254) is 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid is CC(C)CC(CNC(=O)c1c[nH]c(=O)[nH]c1=O)CC(=O)O.
What is the InChIKey of 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid?
The InChIKey is VGSHGUQJECZDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-7(2)3-8(4-10(17)18)5-14-11(19)9-6-15-13(21)16-12(9)20/h6-8H,3-5H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20,21).
What are the key properties of 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid?
3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic 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 3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 65492254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).