dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate

C20H19NO4 — CID 101203349

IUPACdimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO4/c1-24-19(22)15-16(20(23)25-2)18(14-11-7-4-8-12-14)21-17(15)13-9-5-3-6-10-13/h3-12,17-18,21H,1-2H3/t17-,18-/m1/s1
InChIKeyBRIDODRQBCFYKU-QZTJIDSGSA-N
MW337.38 g/mol
LogP2.71
Rot. Bonds4

About dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate

dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate (PubChem CID 101203349) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
PubChem CID101203349
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namedimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO4/c1-24-19(22)15-16(20(23)25-2)18(14-11-7-4-8-12-14)21-17(15)13-9-5-3-6-10-13/h3-12,17-18,21H,1-2H3/t17-,18-/m1/s1
InChIKeyBRIDODRQBCFYKU-QZTJIDSGSA-N
XLogP2.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trimethyl (2S,5S)-5-methyl-2-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate
CID 16726888
methyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2728918
methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 102090086
methyl 3-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 42914688
methyl (4S)-6-ethyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 25397894
methyl (2S,6R)-4-anilino-2,6-bis(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 102090085
(4R)-5-methoxycarbonyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 15004146
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
methyl 6-(anilinomethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110273786
methyl (5S)-5-phenylcyclopentene-1-carboxylate
CID 11401436
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate
CID 95738715

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate (CID 101203349) is dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1.
What is the InChIKey of dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate?
The InChIKey is BRIDODRQBCFYKU-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H19NO4/c1-24-19(22)15-16(20(23)25-2)18(14-11-7-4-8-12-14)21-17(15)13-9-5-3-6-10-13/h3-12,17-18,21H,1-2H3/t17-,18-/m1/s1.
What are the key properties of dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate?
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate is sourced from PubChem (CID 101203349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).