methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate

C22H23NO5 — CID 11164925

IUPACmethyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)C(=O)N([C@@H](CO)c2ccccc2)C1(C)OC
InChIInChI=1S/C22H23NO5/c1-22(28-3)19(21(26)27-2)18(16-12-8-5-9-13-16)20(25)23(22)17(14-24)15-10-6-4-7-11-15/h4-13,17,24H,14H2,1-3H3/t17-,22?/m0/s1
InChIKeyHNUXCMKEJZZEGQ-LBOXEOMUSA-N
MW381.43 g/mol
LogP2.55
Rot. Bonds6

About methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate

methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate (PubChem CID 11164925) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate
PubChem CID11164925
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Namemethyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)C(=O)N([C@@H](CO)c2ccccc2)C1(C)OC
InChIInChI=1S/C22H23NO5/c1-22(28-3)19(21(26)27-2)18(16-12-8-5-9-13-16)20(25)23(22)17(14-24)15-10-6-4-7-11-15/h4-13,17,24H,14H2,1-3H3/t17-,22?/m0/s1
InChIKeyHNUXCMKEJZZEGQ-LBOXEOMUSA-N
XLogP2.55
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate with MolForge

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Related Compounds

Methyl 4-(3-acetyl-4-hydroxy-5-oxo-1-phenethyl-2,5-dihydro-1H-pyrrol-2-yl)benzoate
CID 73335991
methyl (3R,4S)-3-hydroxy-4-[methyl(phenylmethoxycarbonyl)amino]-5-phenylpentanoate
CID 44286259
Ethyl 1-(chloroacetyl)-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
CID 54728252
ethyl 4-hydroxy-1-[hydroxy(phenyl)methyl]-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 54733847
methyl (E)-2-[[(3S,4R)-3-methoxy-2-oxo-4-phenylazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134142180
methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54736168
methyl (2S,3S)-2-benzamido-3-hydroxy-3-phenylpropanoate
CID 14039797
methyl 2-(4-fluorophenyl)-3-hydroxy-1-methyl-5-oxo-2H-pyrrole-4-carboxylate
CID 168869832
ethyl (5E)-5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate
CID 6149617
Dimethyl 1-butyl-2-oxo-4,6-diphenylpyridine-3,5-dicarboxylate
CID 12316481
Trimethyl 2-phenyl-2,5-dihydropyrrole-1,3,4-tricarboxylate
CID 13585037
methyl (2R,3S)-2-benzamido-3-hydroxy-3-phenylpropanoate
CID 14039796

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate?
The IUPAC name of methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate (CID 11164925) is methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate?
The canonical SMILES for methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate is COC(=O)C1=C(c2ccccc2)C(=O)N([C@@H](CO)c2ccccc2)C1(C)OC.
What is the InChIKey of methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate?
The InChIKey is HNUXCMKEJZZEGQ-LBOXEOMUSA-N. The full InChI is InChI=1S/C22H23NO5/c1-22(28-3)19(21(26)27-2)18(16-12-8-5-9-13-16)20(25)23(22)17(14-24)15-10-6-4-7-11-15/h4-13,17,24H,14H2,1-3H3/t17-,22?/m0/s1.
What are the key properties of methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate?
methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxy-2-methyl-5-oxo-4-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 11164925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).