2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid

C13H19N3O5 — CID 43630548

IUPAC2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-3-4-9(12(19)20)15-10(17)6-5-8-7(2)14-13(21)16-11(8)18/h9H,3-6H2,1-2H3,(H,15,17)(H,19,20)(H2,14,16,18,21)
InChIKeyRGJNNDABGDUDBO-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.33
Rot. Bonds7

About 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid

2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid (PubChem CID 43630548) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
PubChem CID43630548
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-3-4-9(12(19)20)15-10(17)6-5-8-7(2)14-13(21)16-11(8)18/h9H,3-6H2,1-2H3,(H,15,17)(H,19,20)(H2,14,16,18,21)
InChIKeyRGJNNDABGDUDBO-UHFFFAOYSA-N
XLogP-0.33
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 ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanoylamino]acetate
CID 2748611
3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43353632
3-methyl-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43353953
2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid
CID 43354404
3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
CID 43354743
4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43355004
2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
CID 43355266
1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355536
2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetic acid
CID 43356217
3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
CID 43357672
4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid
CID 43359994
3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43360815

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid?
The IUPAC name of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid (CID 43630548) is 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid is CCCC(NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid?
The InChIKey is RGJNNDABGDUDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-3-4-9(12(19)20)15-10(17)6-5-8-7(2)14-13(21)16-11(8)18/h9H,3-6H2,1-2H3,(H,15,17)(H,19,20)(H2,14,16,18,21).
What are the key properties of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid?
2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 43630548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).