methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate

C19H25NO4 — CID 11724260

IUPACmethyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate
SMILESCCC(C)[C@@H](C(=O)OC)N1C=CC(=O)C[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H25NO4/c1-5-13(2)18(19(22)24-4)20-11-10-15(21)12-17(20)14-6-8-16(23-3)9-7-14/h6-11,13,17-18H,5,12H2,1-4H3/t13?,17-,18+/m1/s1
InChIKeyWVDMHPCDOKHPGF-YMSDKTMASA-N
MW331.41 g/mol
LogP3.11
Rot. Bonds6

About methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate

methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate (PubChem CID 11724260) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate
PubChem CID11724260
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Namemethyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate
SMILESCCC(C)[C@@H](C(=O)OC)N1C=CC(=O)C[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H25NO4/c1-5-13(2)18(19(22)24-4)20-11-10-15(21)12-17(20)14-6-8-16(23-3)9-7-14/h6-11,13,17-18H,5,12H2,1-4H3/t13?,17-,18+/m1/s1
InChIKeyWVDMHPCDOKHPGF-YMSDKTMASA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate?
The IUPAC name of methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate (CID 11724260) is methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate is CCC(C)[C@@H](C(=O)OC)N1C=CC(=O)C[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate?
The InChIKey is WVDMHPCDOKHPGF-YMSDKTMASA-N. The full InChI is InChI=1S/C19H25NO4/c1-5-13(2)18(19(22)24-4)20-11-10-15(21)12-17(20)14-6-8-16(23-3)9-7-14/h6-11,13,17-18H,5,12H2,1-4H3/t13?,17-,18+/m1/s1.
What are the key properties of methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate?
methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate has a molecular weight of 331.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyridin-1-yl]-3-methylpentanoate is sourced from PubChem (CID 11724260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).