(2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

C19H27NO6 — CID 11245491

About (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

(2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (PubChem CID 11245491) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

Molecular Properties

• Compound Name: (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
• PubChem CID: 11245491
• Molecular Formula: C19H27NO6
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.18
• IUPAC Name: (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
• SMILES: C[C@@H](COC(=O)c1ccccc1)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C19H27NO6/c1-13(12-25-17(23)14-9-7-6-8-10-14)11-15(16(21)22)20(5)18(24)26-19(2,3)4/h6-10,13,15H,11-12H2,1-5H3,(H,21,22)/t13-,15+/m1/s1
• InChIKey: AEAKAXAVTBGDCN-HIFRSBDPSA-N
• XLogP: 3.19
• TPSA: 93.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?

The IUPAC name of (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (CID 11245491) is (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

What is the SMILES notation for (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?

The canonical SMILES for (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is C[C@@H](COC(=O)c1ccccc1)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.

What is the InChIKey of (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?

The InChIKey is AEAKAXAVTBGDCN-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H27NO6/c1-13(12-25-17(23)14-9-7-6-8-10-14)11-15(16(21)22)20(5)18(24)26-19(2,3)4/h6-10,13,15H,11-12H2,1-5H3,(H,21,22)/t13-,15+/m1/s1.

What are the key properties of (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?

(2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid has a molecular weight of 365.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-5-benzoyloxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is sourced from PubChem (CID 11245491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).