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

C24H25N3O5 — CID 135366360

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

(3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenyl)phenyl]propanoic acid (PubChem CID 135366360) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenyl)phenyl]propanoic acid.

Molecular Properties

• Compound Name: (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenyl)phenyl]propanoic acid
• PubChem CID: 135366360
• Molecular Formula: C24H25N3O5
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.18
• IUPAC Name: (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenyl)phenyl]propanoic acid
• SMILES: Cc1ccc(-c2cccc([C@H](CC(=O)O)NC(=O)Nc3c(O)c(C)cn(C)c3=O)c2)cc1
• InChI: InChI=1S/C24H25N3O5/c1-14-7-9-16(10-8-14)17-5-4-6-18(11-17)19(12-20(28)29)25-24(32)26-21-22(30)15(2)13-27(3)23(21)31/h4-11,13,19,30H,12H2,1-3H3,(H,28,29)(H2,25,26,32)/t19-/m0/s1
• InChIKey: UGENKCAIIOIGFO-IBGZPJMESA-N
• XLogP: 3.71
• TPSA: 120.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenyl)phenyl]propanoic acid (CID 135366360) is (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenyl)phenyl]propanoic acid.

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

The canonical SMILES for (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenyl)phenyl]propanoic acid is Cc1ccc(-c2cccc([C@H](CC(=O)O)NC(=O)Nc3c(O)c(C)cn(C)c3=O)c2)cc1.

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

The InChIKey is UGENKCAIIOIGFO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25N3O5/c1-14-7-9-16(10-8-14)17-5-4-6-18(11-17)19(12-20(28)29)25-24(32)26-21-22(30)15(2)13-27(3)23(21)31/h4-11,13,19,30H,12H2,1-3H3,(H,28,29)(H2,25,26,32)/t19-/m0/s1.

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

(3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenyl)phenyl]propanoic acid has a molecular weight of 435.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 135366360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).