4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid

C13H19N3O5 — CID 43353314

IUPAC4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-8(2)6-9(12(19)20)14-10(17)7-16-5-4-11(18)15(3)13(16)21/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)(H,19,20)
InChIKeyDFHPJCTVRXLLAW-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.84
Rot. Bonds6

About 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid

4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 43353314) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid
PubChem CID43353314
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-8(2)6-9(12(19)20)14-10(17)7-16-5-4-11(18)15(3)13(16)21/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)(H,19,20)
InChIKeyDFHPJCTVRXLLAW-UHFFFAOYSA-N
XLogP-0.84
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 44382923
2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 44383690
(S)-6-amino-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)hexanoic acid
CID 44413657
(S)-6-amino-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetamido)hexanoic acid
CID 44413677
(S)-5-amino-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)-5-oxopentanoic acid
CID 44413723
(S)-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)pentanedioic acid
CID 44413730
(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(hexanoylamino)propanoic acid
CID 56774522
(2S)-2-(cyclohexanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774523
(2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774524
(2S)-2-(2,2-dimethylpropanoylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774528
(2S)-2-(2,2-dimethylpropylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 71693224
2-[[(2S)-2-[(2-amino-4-methylpentanoyl)amino]propanoyl]amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
CID 53702939

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid (CID 43353314) is 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid is CC(C)CC(NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is DFHPJCTVRXLLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-8(2)6-9(12(19)20)14-10(17)7-16-5-4-11(18)15(3)13(16)21/h4-5,8-9H,6-7H2,1-3H3,(H,14,17)(H,19,20).
What are the key properties of 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43353314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).