4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid

C18H34N2O6 — CID 175481483

About 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid

4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid (PubChem CID 175481483) has the molecular formula C18H34N2O6 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid.

Molecular Properties

• Compound Name: 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid
• PubChem CID: 175481483
• Molecular Formula: C18H34N2O6
• Molecular Weight: 374.48 g/mol
• Exact Mass: 374.24
• IUPAC Name: 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid
• SMILES: CC(C)CC(C(=O)N(C)C(C)(CCO)C(=O)O)N(C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C18H34N2O6/c1-12(2)11-13(19(7)16(25)26-17(3,4)5)14(22)20(8)18(6,9-10-21)15(23)24/h12-13,21H,9-11H2,1-8H3,(H,23,24)
• InChIKey: XJZRCFSASAVFBM-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 107.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.48
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid?

The IUPAC name of 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid (CID 175481483) is 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid.

What is the SMILES notation for 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid?

The canonical SMILES for 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid is CC(C)CC(C(=O)N(C)C(C)(CCO)C(=O)O)N(C)C(=O)OC(C)(C)C.

What is the InChIKey of 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid?

The InChIKey is XJZRCFSASAVFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O6/c1-12(2)11-13(19(7)16(25)26-17(3,4)5)14(22)20(8)18(6,9-10-21)15(23)24/h12-13,21H,9-11H2,1-8H3,(H,23,24).

What are the key properties of 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid?

4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid has a molecular weight of 374.48 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-2-methyl-2-[methyl-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid is sourced from PubChem (CID 175481483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).