2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid

C19H30N4O7 — CID 70284609

About 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid

2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid (PubChem CID 70284609) has the molecular formula C19H30N4O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

• Compound Name: 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid
• PubChem CID: 70284609
• Molecular Formula: C19H30N4O7
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.21
• IUPAC Name: 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid
• SMILES: Cc1cn(CC(=O)N(CC(N)C(=O)OC(C)(C)C)C(C(=O)O)C(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C19H30N4O7/c1-10(2)14(16(26)27)23(8-12(20)17(28)30-19(4,5)6)13(24)9-22-7-11(3)15(25)21-18(22)29/h7,10,12,14H,8-9,20H2,1-6H3,(H,26,27)(H,21,25,29)
• InChIKey: ZVOGIUFRBYXHRF-UHFFFAOYSA-N
• XLogP: -0.55
• TPSA: 164.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	-0.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid?

The IUPAC name of 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid (CID 70284609) is 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid.

What is the SMILES notation for 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid?

The canonical SMILES for 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid is Cc1cn(CC(=O)N(CC(N)C(=O)OC(C)(C)C)C(C(=O)O)C(C)C)c(=O)[nH]c1=O.

What is the InChIKey of 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid?

The InChIKey is ZVOGIUFRBYXHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O7/c1-10(2)14(16(26)27)23(8-12(20)17(28)30-19(4,5)6)13(24)9-22-7-11(3)15(25)21-18(22)29/h7,10,12,14H,8-9,20H2,1-6H3,(H,26,27)(H,21,25,29).

What are the key properties of 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid?

2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 426.47 g/mol, XLogP of -0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 70284609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).