(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide

C19H21N3O3 — CID 7443674

IUPAC(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O3/c23-16-11-17(18(24)20-12-14-7-3-1-4-8-14)22(13-16)19(25)21-15-9-5-2-6-10-15/h1-10,16-17,23H,11-13H2,(H,20,24)(H,21,25)/t16-,17-/m1/s1
InChIKeyLQEBVUSYEMWLJW-IAGOWNOFSA-N
MW339.39 g/mol
LogP1.97
Rot. Bonds4

About (2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide

(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 7443674) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID7443674
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O3/c23-16-11-17(18(24)20-12-14-7-3-1-4-8-14)22(13-16)19(25)21-15-9-5-2-6-10-15/h1-10,16-17,23H,11-13H2,(H,20,24)(H,21,25)/t16-,17-/m1/s1
InChIKeyLQEBVUSYEMWLJW-IAGOWNOFSA-N
XLogP1.97
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-N-[(4-fluorophenyl)methyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443681
(2S,4S)-2-N-[(3-fluorophenyl)methyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7450562
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
(2R,4R)-2-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7450544
(2R,4R)-1-N-(2-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 7450583
2-N-benzyl-1-N,4-N-bis(4-fluorophenyl)piperazine-1,2,4-tricarboxamide
CID 134085419
(2S,4S)-4-hydroxy-1-[[3-(methylaminomethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 64714809
(2S,4R)-1-[(2R)-2-acetamido-3,3-dimethylbutanoyl]-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 177375259
(2S,4S)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443805
(2S,4S)-1-(benzylcarbamothioyl)-4-hydroxypyrrolidine-2-carboxylate
CID 7393321
(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537
1-(2-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 77136388

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 7443674) is (2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(NCc1ccccc1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1.
What is the InChIKey of (2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is LQEBVUSYEMWLJW-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-16-11-17(18(24)20-12-14-7-3-1-4-8-14)22(13-16)19(25)21-15-9-5-2-6-10-15/h1-10,16-17,23H,11-13H2,(H,20,24)(H,21,25)/t16-,17-/m1/s1.
What are the key properties of (2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide?
(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 7443674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).