methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate

C20H21NO5 — CID 67486037

IUPACmethyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(OCc2ccccc2)cc(O[C@@]2(C)CCNC2=O)c1
InChIInChI=1S/C20H21NO5/c1-20(8-9-21-19(20)23)26-17-11-15(18(22)24-2)10-16(12-17)25-13-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,23)/t20-/m0/s1
InChIKeyYJVZECDFHRHCOX-FQEVSTJZSA-N
MW355.39 g/mol
LogP2.71
Rot. Bonds6

About methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate

methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate (PubChem CID 67486037) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate
PubChem CID67486037
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(OCc2ccccc2)cc(O[C@@]2(C)CCNC2=O)c1
InChIInChI=1S/C20H21NO5/c1-20(8-9-21-19(20)23)26-17-11-15(18(22)24-2)10-16(12-17)25-13-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,23)/t20-/m0/s1
InChIKeyYJVZECDFHRHCOX-FQEVSTJZSA-N
XLogP2.71
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
methyl 3,5-bis[(4-tert-butylphenyl)methoxy]benzoate
CID 135035006
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
bis[2-[2-[3-methoxycarbonyl-5-[2-[2-[4-[2-oxo-2-(4-phenylmethoxyphenyl)acetyl]phenoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethyl] oxalate
CID 102178885
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
[(2S)-1-[3-[(2S)-2-azaniumyl-3-phenylpropoxy]-5-methoxycarbonylphenoxy]-3-phenylpropan-2-yl]azanium dichloride
CID 10505786
methyl 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-phenylmethoxybenzoate
CID 21440616
dimethyl 5-[[3-[[3,5-bis[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate
CID 23245644

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate?
The IUPAC name of methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate (CID 67486037) is methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate.
What is the SMILES notation for methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate?
The canonical SMILES for methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate is COC(=O)c1cc(OCc2ccccc2)cc(O[C@@]2(C)CCNC2=O)c1.
What is the InChIKey of methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate?
The InChIKey is YJVZECDFHRHCOX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21NO5/c1-20(8-9-21-19(20)23)26-17-11-15(18(22)24-2)10-16(12-17)25-13-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,23)/t20-/m0/s1.
What are the key properties of methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate?
methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate has a molecular weight of 355.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3S)-3-methyl-2-oxopyrrolidin-3-yl]oxy-5-phenylmethoxybenzoate is sourced from PubChem (CID 67486037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).