[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate

C25H27NO6 — CID 9498045

IUPAC[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
SMILESCC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1
InChIInChI=1S/C25H27NO6/c1-4-21(23(28)17-8-6-5-7-9-17)32-25(30)19-14-22(27)26(15-19)20-12-10-18(11-13-20)24(29)31-16(2)3/h5-13,16,19,21H,4,14-15H2,1-3H3/t19-,21+/m1/s1
InChIKeyKZYPVTMXUKTQFQ-CTNGQTDRSA-N
MW437.49 g/mol
LogP3.81
Rot. Bonds8

About [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate

[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate (PubChem CID 9498045) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
PubChem CID9498045
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Name[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
SMILESCC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1
InChIInChI=1S/C25H27NO6/c1-4-21(23(28)17-8-6-5-7-9-17)32-25(30)19-14-22(27)26(15-19)20-12-10-18(11-13-20)24(29)31-16(2)3/h5-13,16,19,21H,4,14-15H2,1-3H3/t19-,21+/m1/s1
InChIKeyKZYPVTMXUKTQFQ-CTNGQTDRSA-N
XLogP3.81
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate with MolForge

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Related Compounds

[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1094826
5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylic acid
CID 50888665
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 1218770
[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004270
(2-anilino-2-oxoethyl) (3S)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 124578850
[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 11837784
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759
(4-chlorophenyl)methyl 5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 2982010
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8954630
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-5-oxo-1-(4-propoxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 9498085
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (3S)-5-oxo-1-(4-propoxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 9498094
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (3R)-5-oxo-1-(4-propoxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 9498095

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate (CID 9498045) is [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate is CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate?
The InChIKey is KZYPVTMXUKTQFQ-CTNGQTDRSA-N. The full InChI is InChI=1S/C25H27NO6/c1-4-21(23(28)17-8-6-5-7-9-17)32-25(30)19-14-22(27)26(15-19)20-12-10-18(11-13-20)24(29)31-16(2)3/h5-13,16,19,21H,4,14-15H2,1-3H3/t19-,21+/m1/s1.
What are the key properties of [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate?
[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate has a molecular weight of 437.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 9498045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).