2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane

C15H24N4O6 — CID 143450884

About 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane

2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane (PubChem CID 143450884) has the molecular formula C15H24N4O6 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane.

Molecular Properties

• Compound Name: 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane
• PubChem CID: 143450884
• Molecular Formula: C15H24N4O6
• Molecular Weight: 356.38 g/mol
• Exact Mass: 356.17
• IUPAC Name: 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane
• SMILES: CC.CC(=O)NCCN(CC(=O)O)C(=O)Cn1cc(C)c(=O)[nH]c1=O
• InChI: InChI=1S/C13H18N4O6.C2H6/c1-8-5-17(13(23)15-12(8)22)6-10(19)16(7-11(20)21)4-3-14-9(2)18;1-2/h5H,3-4,6-7H2,1-2H3,(H,14,18)(H,20,21)(H,15,22,23);1-2H3
• InChIKey: JHNBUTPPIRHKLA-UHFFFAOYSA-N
• XLogP: -1.08
• TPSA: 141.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.38
LogP ≤ 5	-1.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane?

The IUPAC name of 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane (CID 143450884) is 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane.

What is the SMILES notation for 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane?

The canonical SMILES for 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane is CC.CC(=O)NCCN(CC(=O)O)C(=O)Cn1cc(C)c(=O)[nH]c1=O.

What is the InChIKey of 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane?

The InChIKey is JHNBUTPPIRHKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O6.C2H6/c1-8-5-17(13(23)15-12(8)22)6-10(19)16(7-11(20)21)4-3-14-9(2)18;1-2/h5H,3-4,6-7H2,1-2H3,(H,14,18)(H,20,21)(H,15,22,23);1-2H3.

What are the key properties of 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane?

2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane has a molecular weight of 356.38 g/mol, XLogP of -1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane is sourced from PubChem (CID 143450884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).