dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate

C17H23NO4 — CID 135007567

IUPACdimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate
SMILESCC[C@@]1(C(=O)OC)N[C@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C
InChIInChI=1S/C17H23NO4/c1-5-17(16(20)22-4)11(2)13(15(19)21-3)14(18-17)12-9-7-6-8-10-12/h6-11,13-14,18H,5H2,1-4H3/t11-,13-,14-,17-/m1/s1
InChIKeyCQUOCGAZIFAVMO-LSCFUAHRSA-N
MW305.37 g/mol
LogP2.08
Rot. Bonds4

About dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate

dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate (PubChem CID 135007567) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate
PubChem CID135007567
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namedimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate
SMILESCC[C@@]1(C(=O)OC)N[C@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C
InChIInChI=1S/C17H23NO4/c1-5-17(16(20)22-4)11(2)13(15(19)21-3)14(18-17)12-9-7-6-8-10-12/h6-11,13-14,18H,5H2,1-4H3/t11-,13-,14-,17-/m1/s1
InChIKeyCQUOCGAZIFAVMO-LSCFUAHRSA-N
XLogP2.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate
CID 14062338
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
trimethyl (2R,3S,4S,5S)-2-benzyl-5-pyridin-2-ylpyrrolidine-2,3,4-tricarboxylate
CID 50908491
3-O,4-O-dimethyl 2-O-propan-2-yl (2R,3R,4R,5S)-2-methyl-5-phenylpyrrolidine-2,3,4-tricarboxylate
CID 10642456
dimethyl (2S,3R,4S,5R)-2-(4-hydroxyphenyl)-5-phenylpyrrolidine-3,4-dicarboxylate
CID 101222066
methyl (2'R,3S,3'S,4'S)-5-methoxy-1,4'-dimethyl-2-oxo-2'-phenylspiro[indole-3,5'-pyrrolidine]-3'-carboxylate
CID 138967187
methyl (2R,4R,5S)-2-methyl-5-phenyl-4-propanoylpyrrolidine-2-carboxylate
CID 137333536
methyl (2S,4S,5R)-4-(hydroxymethyl)-2-methyl-5-phenylpyrrolidine-2-carboxylate
CID 97109270
methyl 3-ethyl-1-(4-hydroxyphenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 3217343
3-O-tert-butyl 6a-O-methyl (2S,3S,3aS,6aS)-2-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrole-3,6a-dicarboxylate
CID 132597008
methyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
CID 73324817
methyl (1S,3S,3aS,6aR)-3-ethyl-1-(4-fluorophenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 100911741

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate (CID 135007567) is dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate is CC[C@@]1(C(=O)OC)N[C@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C.
What is the InChIKey of dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate?
The InChIKey is CQUOCGAZIFAVMO-LSCFUAHRSA-N. The full InChI is InChI=1S/C17H23NO4/c1-5-17(16(20)22-4)11(2)13(15(19)21-3)14(18-17)12-9-7-6-8-10-12/h6-11,13-14,18H,5H2,1-4H3/t11-,13-,14-,17-/m1/s1.
What are the key properties of dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate?
dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R,4R,5S)-2-ethyl-3-methyl-5-phenylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 135007567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).