methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate

C24H35N3O7 — CID 18034792

About methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate

methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate (PubChem CID 18034792) has the molecular formula C24H35N3O7 and a molecular weight of 477.56 g/mol. Its IUPAC name is methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate
• PubChem CID: 18034792
• Molecular Formula: C24H35N3O7
• Molecular Weight: 477.56 g/mol
• Exact Mass: 477.25
• IUPAC Name: methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate
• SMILES: COC(=O)CNC(=O)C(c1ccccc1C)N(C(=O)C(CO)NC(=O)OC(C)(C)C)C1CCC1
• InChI: InChI=1S/C24H35N3O7/c1-15-9-6-7-12-17(15)20(21(30)25-13-19(29)33-5)27(16-10-8-11-16)22(31)18(14-28)26-23(32)34-24(2,3)4/h6-7,9,12,16,18,20,28H,8,10-11,13-14H2,1-5H3,(H,25,30)(H,26,32)
• InChIKey: NQWCZNLCBQMFHJ-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 134.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.56
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate?

The IUPAC name of methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate (CID 18034792) is methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate.

What is the SMILES notation for methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate?

The canonical SMILES for methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate is COC(=O)CNC(=O)C(c1ccccc1C)N(C(=O)C(CO)NC(=O)OC(C)(C)C)C1CCC1.

What is the InChIKey of methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate?

The InChIKey is NQWCZNLCBQMFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O7/c1-15-9-6-7-12-17(15)20(21(30)25-13-19(29)33-5)27(16-10-8-11-16)22(31)18(14-28)26-23(32)34-24(2,3)4/h6-7,9,12,16,18,20,28H,8,10-11,13-14H2,1-5H3,(H,25,30)(H,26,32).

What are the key properties of methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate?

methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate has a molecular weight of 477.56 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[cyclobutyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylphenyl)acetyl]amino]acetate is sourced from PubChem (CID 18034792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).