(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate

C24H21NO3 — CID 9057474

IUPAC(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O
InChIInChI=1S/C24H21NO3/c1-17-7-5-6-10-22(17)25-16-20(15-23(25)26)24(27)28-21-13-11-19(12-14-21)18-8-3-2-4-9-18/h2-14,20H,15-16H2,1H3/t20-/m0/s1
InChIKeyLXADYLFGTWXKTG-FQEVSTJZSA-N
MW371.44 g/mol
LogP4.62
Rot. Bonds4

About (4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate

(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 9057474) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID9057474
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O
InChIInChI=1S/C24H21NO3/c1-17-7-5-6-10-22(17)25-16-20(15-23(25)26)24(27)28-21-13-11-19(12-14-21)18-8-3-2-4-9-18/h2-14,20H,15-16H2,1H3/t20-/m0/s1
InChIKeyLXADYLFGTWXKTG-FQEVSTJZSA-N
XLogP4.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethylphenyl) (3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 973275
(4-phenylphenyl) (3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056799
(2-acetylphenyl) (3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057479
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
(3,4-dimethylphenyl) (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057592
[4-(4-cyanophenyl)phenyl] 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4785744
(4-nitrophenyl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42997291
(4-bromophenyl) (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057570
(4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 8572256
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478
(4-methoxycarbonylphenyl) 1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxylate
CID 43059416
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004099

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 9057474) is (4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate is Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O.
What is the InChIKey of (4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is LXADYLFGTWXKTG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H21NO3/c1-17-7-5-6-10-22(17)25-16-20(15-23(25)26)24(27)28-21-13-11-19(12-14-21)18-8-3-2-4-9-18/h2-14,20H,15-16H2,1H3/t20-/m0/s1.
What are the key properties of (4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9057474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).