(2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

C20H27N3O4 — CID 167976729

IUPAC(2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(C[C@@H]1CCCN1C(=O)[C@@H](O)Cc1ccccc1)C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C20H27N3O4/c1-22(19(26)16-9-10-18(25)21-16)13-15-8-5-11-23(15)20(27)17(24)12-14-6-3-2-4-7-14/h2-4,6-7,15-17,24H,5,8-13H2,1H3,(H,21,25)/t15-,16-,17-/m0/s1
InChIKeyYXHRBTNQADLYBU-ULQDDVLXSA-N
MW373.45 g/mol
LogP0.32
Rot. Bonds6

About (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 167976729) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID167976729
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(C[C@@H]1CCCN1C(=O)[C@@H](O)Cc1ccccc1)C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C20H27N3O4/c1-22(19(26)16-9-10-18(25)21-16)13-15-8-5-11-23(15)20(27)17(24)12-14-6-3-2-4-7-14/h2-4,6-7,15-17,24H,5,8-13H2,1H3,(H,21,25)/t15-,16-,17-/m0/s1
InChIKeyYXHRBTNQADLYBU-ULQDDVLXSA-N
XLogP0.32
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985
benzyl N-[[(2R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96554000
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95351095
benzyl (2S)-2-[[[(2S)-2-aminopropanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564868
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
2-amino-1-[2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144167
2-amino-1-[2-[[benzyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 77144158
(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 62889117
(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119288459
(2R)-1-[(2R)-2-[[(2R)-2-hydroxy-3-phenylpropanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 51694121
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide (CID 167976729) is (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide is CN(C[C@@H]1CCCN1C(=O)[C@@H](O)Cc1ccccc1)C(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YXHRBTNQADLYBU-ULQDDVLXSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-22(19(26)16-9-10-18(25)21-16)13-15-8-5-11-23(15)20(27)17(24)12-14-6-3-2-4-7-14/h2-4,6-7,15-17,24H,5,8-13H2,1H3,(H,21,25)/t15-,16-,17-/m0/s1.
What are the key properties of (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S)-1-[(2S)-2-hydroxy-3-phenylpropanoyl]pyrrolidin-2-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 167976729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).