3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

C24H33N5O6S — CID 22006440

About 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid (PubChem CID 22006440) has the molecular formula C24H33N5O6S and a molecular weight of 519.62 g/mol. Its IUPAC name is 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
• PubChem CID: 22006440
• Molecular Formula: C24H33N5O6S
• Molecular Weight: 519.62 g/mol
• Exact Mass: 519.22
• IUPAC Name: 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
• SMILES: Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)CC2CC(CCc3cccc(N)n3)NO2)C(=O)O)c(C)c1
• InChI: InChI=1S/C24H33N5O6S/c1-14-9-15(2)23(16(3)10-14)36(33,34)29-20(24(31)32)13-26-22(30)12-19-11-18(28-35-19)8-7-17-5-4-6-21(25)27-17/h4-6,9-10,18-20,28-29H,7-8,11-13H2,1-3H3,(H2,25,27)(H,26,30)(H,31,32)
• InChIKey: SGSACHMFHFLPON-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 172.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.62
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid?

The IUPAC name of 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid (CID 22006440) is 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid.

What is the SMILES notation for 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid?

The canonical SMILES for 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid is Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)CC2CC(CCc3cccc(N)n3)NO2)C(=O)O)c(C)c1.

What is the InChIKey of 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid?

The InChIKey is SGSACHMFHFLPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O6S/c1-14-9-15(2)23(16(3)10-14)36(33,34)29-20(24(31)32)13-26-22(30)12-19-11-18(28-35-19)8-7-17-5-4-6-21(25)27-17/h4-6,9-10,18-20,28-29H,7-8,11-13H2,1-3H3,(H2,25,27)(H,26,30)(H,31,32).

What are the key properties of 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid?

3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid has a molecular weight of 519.62 g/mol, XLogP of 1.12, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[3-[2-(6-amino-2-pyridinyl)ethyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 22006440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).