(2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide

C23H28N2O3 — CID 154868693

IUPAC(2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H28N2O3/c1-17(26)25-16-21(27)14-22(25)23(28)24-15-20(12-18-8-4-2-5-9-18)13-19-10-6-3-7-11-19/h2-11,20-22,27H,12-16H2,1H3,(H,24,28)/t21-,22+/m1/s1
InChIKeyJAUIOLHBXMEPMN-YADHBBJMSA-N
MW380.49 g/mol
LogP2.19
Rot. Bonds7

About (2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 154868693) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID154868693
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H28N2O3/c1-17(26)25-16-21(27)14-22(25)23(28)24-15-20(12-18-8-4-2-5-9-18)13-19-10-6-3-7-11-19/h2-11,20-22,27H,12-16H2,1H3,(H,24,28)/t21-,22+/m1/s1
InChIKeyJAUIOLHBXMEPMN-YADHBBJMSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 91982515
(2S)-2-[[(2S)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 69040594
(2R,4S)-4-hydroxy-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 101041451
(2S,4R)-1-[(2R)-2-acetamido-3,3-dimethylbutanoyl]-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 177375259
(2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138828
1-[(2S)-2-amino-3-phenylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158237
(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443674
(2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 136581459
(2R,4S)-1-acetyl-4-hydroxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 119051010
(2S,4R)-1-(2-acetamido-2-methylpropanoyl)-N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 177375014
(2S,4S)-1-(benzylcarbamothioyl)-4-hydroxypyrrolidine-2-carboxylate
CID 7393321
(2S,4R)-1-[(2S)-2-acetamido-2-(1-acetylpiperidin-4-yl)acetyl]-N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 177375049

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide (CID 154868693) is (2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide is CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is JAUIOLHBXMEPMN-YADHBBJMSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(26)25-16-21(27)14-22(25)23(28)24-15-20(12-18-8-4-2-5-9-18)13-19-10-6-3-7-11-19/h2-11,20-22,27H,12-16H2,1H3,(H,24,28)/t21-,22+/m1/s1.
What are the key properties of (2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-acetyl-N-(2-benzyl-3-phenylpropyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 154868693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).