methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate

C22H24N2O6 — CID 108798776

IUPACmethyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C22H24N2O6/c1-29-18-9-5-16(6-10-18)24-13-15(12-20(24)26)21(27)23-19(22(28)30-2)11-14-3-7-17(25)8-4-14/h3-10,15,19,25H,11-13H2,1-2H3,(H,23,27)
InChIKeyCXAINCSKKFJLPS-UHFFFAOYSA-N
MW412.44 g/mol
LogP1.65
Rot. Bonds7

About methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate

methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate (PubChem CID 108798776) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
PubChem CID108798776
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Namemethyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C22H24N2O6/c1-29-18-9-5-16(6-10-18)24-13-15(12-20(24)26)21(27)23-19(22(28)30-2)11-14-3-7-17(25)8-4-14/h3-10,15,19,25H,11-13H2,1-2H3,(H,23,27)
InChIKeyCXAINCSKKFJLPS-UHFFFAOYSA-N
XLogP1.65
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
CID 42650262
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 42534750
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate
CID 42569429
1-(4-methoxyphenyl)-N-(6-methylheptan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17309378
N-(1-amino-4-methylpentan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588603
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate (CID 108798776) is methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate is COC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
The InChIKey is CXAINCSKKFJLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-29-18-9-5-16(6-10-18)24-13-15(12-20(24)26)21(27)23-19(22(28)30-2)11-14-3-7-17(25)8-4-14/h3-10,15,19,25H,11-13H2,1-2H3,(H,23,27).
What are the key properties of methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate has a molecular weight of 412.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 108798776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).