ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate

C21H27NO5 — CID 95859408

IUPACethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate
SMILESCCOC(=O)C[C@H](c1ccc(OCC(C)C)cc1)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C21H27NO5/c1-5-26-19(24)11-17(20-18(23)10-14(4)22-21(20)25)15-6-8-16(9-7-15)27-12-13(2)3/h6-10,13,17H,5,11-12H2,1-4H3,(H2,22,23,25)/t17-/m1/s1
InChIKeyAGZBVZPPTQPBJY-QGZVFWFLSA-N
MW373.45 g/mol
LogP3.51
Rot. Bonds8

About ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate

ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate (PubChem CID 95859408) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate
PubChem CID95859408
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Nameethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate
SMILESCCOC(=O)C[C@H](c1ccc(OCC(C)C)cc1)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C21H27NO5/c1-5-26-19(24)11-17(20-18(23)10-14(4)22-21(20)25)15-6-8-16(9-7-15)27-12-13(2)3/h6-10,13,17H,5,11-12H2,1-4H3,(H2,22,23,25)/t17-/m1/s1
InChIKeyAGZBVZPPTQPBJY-QGZVFWFLSA-N
XLogP3.51
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate with MolForge

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Related Compounds

ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 95793166
ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 71692313
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridin-3-ylpropanoate
CID 95859611
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)propanoate
CID 71692099
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate
CID 95860341
ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate
CID 95792847
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
CID 54703490
ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate
CID 91972743
(3R)-3-amino-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 776432
3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid
CID 71708508
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]propanoate
CID 95859314
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate?
The IUPAC name of ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate (CID 95859408) is ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate.
What is the SMILES notation for ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate?
The canonical SMILES for ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate is CCOC(=O)C[C@H](c1ccc(OCC(C)C)cc1)c1c(O)cc(C)[nH]c1=O.
What is the InChIKey of ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate?
The InChIKey is AGZBVZPPTQPBJY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NO5/c1-5-26-19(24)11-17(20-18(23)10-14(4)22-21(20)25)15-6-8-16(9-7-15)27-12-13(2)3/h6-10,13,17H,5,11-12H2,1-4H3,(H2,22,23,25)/t17-/m1/s1.
What are the key properties of ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate?
ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate has a molecular weight of 373.45 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate is sourced from PubChem (CID 95859408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).