methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate

C19H17NO4 — CID 102178927

IUPACmethyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)[C@@H](c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-24-19(23)15-12-16(21)17(13-8-4-2-5-9-13)20(15)18(22)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3/t15-,17+/m0/s1
InChIKeyGCKBIXCMUQELFD-DOTOQJQBSA-N
MW323.35 g/mol
LogP2.38
Rot. Bonds3

About methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate

methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate (PubChem CID 102178927) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate
PubChem CID102178927
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)[C@@H](c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-24-19(23)15-12-16(21)17(13-8-4-2-5-9-13)20(15)18(22)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3/t15-,17+/m0/s1
InChIKeyGCKBIXCMUQELFD-DOTOQJQBSA-N
XLogP2.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Benzamido-2-methyl-4-oxo-6-phenylhexanoylproline
CID 134166
Compound 20
CID 156271
1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acid
CID 12854254
1-[5-(2-Methyl-benzoylamino)-4-oxo-6-phenyl-hexanoyl]-pyrrolidine-2-carboxylic acid
CID 44384569
1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acid methyl ester
CID 44386281
(S,S)-1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acid
CID 335542
methyl (3R,3aS,4S)-2-benzoyl-3-benzyl-4-[3-(dimethylamino)-2,3-dioxopropyl]-5-oxo-3a,4-dihydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 3247143
methyl (3R,3aR)-2-benzoyl-3-[(4-fluorophenyl)methyl]-4-methylidene-5-oxo-1,3a-dihydrocyclopenta[c]pyrrole-3-carboxylate
CID 3247230
1-(5-Benzoylamino-2-methyl-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acid
CID 44316753
(S)-1-((1S,5S)-5-Benzoylamino-2-methyl-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acid
CID 44328851
(R)-1-[3-((S)-2-Cyclopentanecarbonyl-pyrrolidine-1-carbonyl)-benzoyl]-pyrrolidine-2-carboxylic acid methyl ester
CID 44360018
Dimethyl 2,5-bis(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanedioate
CID 272868

Frequently Asked Questions

What is the IUPAC name of methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate (CID 102178927) is methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate is COC(=O)[C@@H]1CC(=O)[C@@H](c2ccccc2)N1C(=O)c1ccccc1.
What is the InChIKey of methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate?
The InChIKey is GCKBIXCMUQELFD-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H17NO4/c1-24-19(23)15-12-16(21)17(13-8-4-2-5-9-13)20(15)18(22)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3/t15-,17+/m0/s1.
What are the key properties of methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate?
methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5R)-1-benzoyl-4-oxo-5-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 102178927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).