ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate

C24H25N3O5 — CID 140935676

About ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate

ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate (PubChem CID 140935676) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate.

Molecular Properties

• Compound Name: ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate
• PubChem CID: 140935676
• Molecular Formula: C24H25N3O5
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.18
• IUPAC Name: ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate
• SMILES: CCOC(=O)C[C@H](NC(=O)Nc1c(O)ccn(C)c1=O)c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C24H25N3O5/c1-3-32-21(29)15-19(18-11-7-10-17(14-18)16-8-5-4-6-9-16)25-24(31)26-22-20(28)12-13-27(2)23(22)30/h4-14,19,28H,3,15H2,1-2H3,(H2,25,26,31)/t19-/m0/s1
• InChIKey: IKXRSPOAFZPMAU-IBGZPJMESA-N
• XLogP: 3.57
• TPSA: 109.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate?

The IUPAC name of ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate (CID 140935676) is ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate.

What is the SMILES notation for ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate?

The canonical SMILES for ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate is CCOC(=O)C[C@H](NC(=O)Nc1c(O)ccn(C)c1=O)c1cccc(-c2ccccc2)c1.

What is the InChIKey of ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate?

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

What are the key properties of ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate?

ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate has a molecular weight of 435.48 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate is sourced from PubChem (CID 140935676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).