2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid

C20H30N2O5 — CID 172607193

About 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid

2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid (PubChem CID 172607193) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid.

Molecular Properties

• Compound Name: 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid
• PubChem CID: 172607193
• Molecular Formula: C20H30N2O5
• Molecular Weight: 378.47 g/mol
• Exact Mass: 378.22
• IUPAC Name: 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid
• SMILES: Cc1ccc(N2CCOCC2)c(CC(C(=O)O)N(C)C(=O)OC(C)(C)C)c1
• InChI: InChI=1S/C20H30N2O5/c1-14-6-7-16(22-8-10-26-11-9-22)15(12-14)13-17(18(23)24)21(5)19(25)27-20(2,3)4/h6-7,12,17H,8-11,13H2,1-5H3,(H,23,24)
• InChIKey: FORYGAUIPMQCPB-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.47
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid?

The IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid (CID 172607193) is 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid.

What is the SMILES notation for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid?

The canonical SMILES for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid is Cc1ccc(N2CCOCC2)c(CC(C(=O)O)N(C)C(=O)OC(C)(C)C)c1.

What is the InChIKey of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid?

The InChIKey is FORYGAUIPMQCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-14-6-7-16(22-8-10-26-11-9-22)15(12-14)13-17(18(23)24)21(5)19(25)27-20(2,3)4/h6-7,12,17H,8-11,13H2,1-5H3,(H,23,24).

What are the key properties of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid?

2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid has a molecular weight of 378.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-methyl-2-morpholin-4-ylphenyl)propanoic acid is sourced from PubChem (CID 172607193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).