(3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid

C24H25N3O7 — CID 135366538

About (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid

(3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid (PubChem CID 135366538) has the molecular formula C24H25N3O7 and a molecular weight of 467.48 g/mol. Its IUPAC name is (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid.

Molecular Properties

• Compound Name: (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid
• PubChem CID: 135366538
• Molecular Formula: C24H25N3O7
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.17
• IUPAC Name: (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid
• SMILES: COc1cccc(-c2cc([C@H](CC(=O)O)NC(=O)Nc3c(O)ccn(C)c3=O)ccc2OC)c1
• InChI: InChI=1S/C24H25N3O7/c1-27-10-9-19(28)22(23(27)31)26-24(32)25-18(13-21(29)30)15-7-8-20(34-3)17(12-15)14-5-4-6-16(11-14)33-2/h4-12,18,28H,13H2,1-3H3,(H,29,30)(H2,25,26,32)/t18-/m0/s1
• InChIKey: PCOIDFSEIBWQFN-SFHVURJKSA-N
• XLogP: 3.11
• TPSA: 139.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid?

The IUPAC name of (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid (CID 135366538) is (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid.

What is the SMILES notation for (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid?

The canonical SMILES for (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid is COc1cccc(-c2cc([C@H](CC(=O)O)NC(=O)Nc3c(O)ccn(C)c3=O)ccc2OC)c1.

What is the InChIKey of (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid?

The InChIKey is PCOIDFSEIBWQFN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25N3O7/c1-27-10-9-19(28)22(23(27)31)26-24(32)25-18(13-21(29)30)15-7-8-20(34-3)17(12-15)14-5-4-6-16(11-14)33-2/h4-12,18,28H,13H2,1-3H3,(H,29,30)(H2,25,26,32)/t18-/m0/s1.

What are the key properties of (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid?

(3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid has a molecular weight of 467.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid is sourced from PubChem (CID 135366538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).