methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate

C24H34N4O8 — CID 18052162

About methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate

methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate (PubChem CID 18052162) has the molecular formula C24H34N4O8 and a molecular weight of 506.56 g/mol. Its IUPAC name is methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate
• PubChem CID: 18052162
• Molecular Formula: C24H34N4O8
• Molecular Weight: 506.56 g/mol
• Exact Mass: 506.24
• IUPAC Name: methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate
• SMILES: COC(=O)CNC(=O)C(c1ccccc1O)N(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C1CC1C
• InChI: InChI=1S/C24H34N4O8/c1-13-10-16(13)28(22(33)15(11-18(25)30)27-23(34)36-24(2,3)4)20(14-8-6-7-9-17(14)29)21(32)26-12-19(31)35-5/h6-9,13,15-16,20,29H,10-12H2,1-5H3,(H2,25,30)(H,26,32)(H,27,34)
• InChIKey: IODYGLLOWRWBFD-UHFFFAOYSA-N
• XLogP: 0.73
• TPSA: 177.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.56
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate?

The IUPAC name of methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate (CID 18052162) is methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate.

What is the SMILES notation for methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate?

The canonical SMILES for methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate is COC(=O)CNC(=O)C(c1ccccc1O)N(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C1CC1C.

What is the InChIKey of methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate?

The InChIKey is IODYGLLOWRWBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O8/c1-13-10-16(13)28(22(33)15(11-18(25)30)27-23(34)36-24(2,3)4)20(14-8-6-7-9-17(14)29)21(32)26-12-19(31)35-5/h6-9,13,15-16,20,29H,10-12H2,1-5H3,(H2,25,30)(H,26,32)(H,27,34).

What are the key properties of methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate?

methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate has a molecular weight of 506.56 g/mol, XLogP of 0.73, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-(2-methylcyclopropyl)amino]-2-(2-hydroxyphenyl)acetyl]amino]acetate is sourced from PubChem (CID 18052162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).