(3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one

C26H28N2O — CID 16724786

IUPAC(3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CNC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H28N2O/c1-20(23-15-9-4-10-16-23)28(19-22-13-7-3-8-14-22)25-18-27-26(29)24(25)17-21-11-5-2-6-12-21/h2-16,20,24-25H,17-19H2,1H3,(H,27,29)/t20-,24+,25-/m0/s1
InChIKeyDQROERIHHNGAGO-AMDXRBSFSA-N
MW384.52 g/mol
LogP4.61
Rot. Bonds7

About (3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one

(3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one (PubChem CID 16724786) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is (3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one
PubChem CID16724786
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name(3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CNC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H28N2O/c1-20(23-15-9-4-10-16-23)28(19-22-13-7-3-8-14-22)25-18-27-26(29)24(25)17-21-11-5-2-6-12-21/h2-16,20,24-25H,17-19H2,1H3,(H,27,29)/t20-,24+,25-/m0/s1
InChIKeyDQROERIHHNGAGO-AMDXRBSFSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24754886
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
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SB 699551 dihydrochloride
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1-(2-(S)-Amino-3-biphenyl-4-YL-propionyl)-pyrrolidine-2-(S)-carbonitrile
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CID 10178009
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CID 11168182
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
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(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one?
The IUPAC name of (3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one (CID 16724786) is (3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one is C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CNC(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one?
The InChIKey is DQROERIHHNGAGO-AMDXRBSFSA-N. The full InChI is InChI=1S/C26H28N2O/c1-20(23-15-9-4-10-16-23)28(19-22-13-7-3-8-14-22)25-18-27-26(29)24(25)17-21-11-5-2-6-12-21/h2-16,20,24-25H,17-19H2,1H3,(H,27,29)/t20-,24+,25-/m0/s1.
What are the key properties of (3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one?
(3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one has a molecular weight of 384.52 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 16724786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).