3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid

C24H24ClN3O5 — CID 135367350

About 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid

3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 135367350) has the molecular formula C24H24ClN3O5 and a molecular weight of 469.93 g/mol. Its IUPAC name is 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
• PubChem CID: 135367350
• Molecular Formula: C24H24ClN3O5
• Molecular Weight: 469.93 g/mol
• Exact Mass: 469.14
• IUPAC Name: 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
• SMILES: Cc1cn(C)c(=O)c(NC(=O)NC(CC(=O)O)c2cccc(Cc3ccccc3Cl)c2)c1O
• InChI: InChI=1S/C24H24ClN3O5/c1-14-13-28(2)23(32)21(22(14)31)27-24(33)26-19(12-20(29)30)17-8-5-6-15(11-17)10-16-7-3-4-9-18(16)25/h3-9,11,13,19,31H,10,12H2,1-2H3,(H,29,30)(H2,26,27,33)
• InChIKey: OMMQIANOJDVWJD-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 120.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.93
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

The IUPAC name of 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid (CID 135367350) is 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid.

What is the SMILES notation for 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

The canonical SMILES for 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid is Cc1cn(C)c(=O)c(NC(=O)NC(CC(=O)O)c2cccc(Cc3ccccc3Cl)c2)c1O.

What is the InChIKey of 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

The InChIKey is OMMQIANOJDVWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O5/c1-14-13-28(2)23(32)21(22(14)31)27-24(33)26-19(12-20(29)30)17-8-5-6-15(11-17)10-16-7-3-4-9-18(16)25/h3-9,11,13,19,31H,10,12H2,1-2H3,(H,29,30)(H2,26,27,33).

What are the key properties of 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid?

3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 469.93 g/mol, XLogP of 3.98, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(2-chlorophenyl)methyl]phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 135367350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).