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

C24H25N3O5 — CID 135365889

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

(3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(2-methyl-3-phenylphenyl)propanoic acid (PubChem CID 135365889) 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-(2-methyl-3-phenylphenyl)propanoic acid.

Molecular Properties

• Compound Name: (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(2-methyl-3-phenylphenyl)propanoic acid
• PubChem CID: 135365889
• 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-(2-methyl-3-phenylphenyl)propanoic acid
• SMILES: Cc1cn(C)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2cccc(-c3ccccc3)c2C)c1O
• InChI: InChI=1S/C24H25N3O5/c1-14-13-27(3)23(31)21(22(14)30)26-24(32)25-19(12-20(28)29)18-11-7-10-17(15(18)2)16-8-5-4-6-9-16/h4-11,13,19,30H,12H2,1-3H3,(H,28,29)(H2,25,26,32)/t19-/m0/s1
• InChIKey: NLXZCTXHEMFPBP-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-(2-methyl-3-phenylphenyl)propanoic acid?

The IUPAC name of (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(2-methyl-3-phenylphenyl)propanoic acid (CID 135365889) is (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(2-methyl-3-phenylphenyl)propanoic acid.

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

The canonical SMILES for (3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(2-methyl-3-phenylphenyl)propanoic acid is Cc1cn(C)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2cccc(-c3ccccc3)c2C)c1O.

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

The InChIKey is NLXZCTXHEMFPBP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25N3O5/c1-14-13-27(3)23(31)21(22(14)30)26-24(32)25-19(12-20(28)29)18-11-7-10-17(15(18)2)16-8-5-4-6-9-16/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-(2-methyl-3-phenylphenyl)propanoic acid?

(3S)-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(2-methyl-3-phenylphenyl)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-(2-methyl-3-phenylphenyl)propanoic acid is sourced from PubChem (CID 135365889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).