4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid

C11H15N3O5 — CID 43172433

IUPAC4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-13(5-2-3-10(17)18)9(16)7-14-6-4-8(15)12-11(14)19/h4,6H,2-3,5,7H2,1H3,(H,17,18)(H,12,15,19)
InChIKeyCYDVZJRIOVLFMN-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.14
Rot. Bonds6

About 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid

4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid (PubChem CID 43172433) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid
PubChem CID43172433
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-13(5-2-3-10(17)18)9(16)7-14-6-4-8(15)12-11(14)19/h4,6H,2-3,5,7H2,1H3,(H,17,18)(H,12,15,19)
InChIKeyCYDVZJRIOVLFMN-UHFFFAOYSA-N
XLogP-1.14
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid (CID 43172433) is 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid?
The InChIKey is CYDVZJRIOVLFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-13(5-2-3-10(17)18)9(16)7-14-6-4-8(15)12-11(14)19/h4,6H,2-3,5,7H2,1H3,(H,17,18)(H,12,15,19).
What are the key properties of 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid?
4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid is sourced from PubChem (CID 43172433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).