(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide

C16H21N3O3 — CID 125152093

IUPAC(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H21N3O3/c1-10-7-14(18-15(21)13-8-12(20)9-17-13)16(22)19(10)11-5-3-2-4-6-11/h2-6,10,12-14,17,20H,7-9H2,1H3,(H,18,21)/t10-,12-,13-,14+/m1/s1
InChIKeyMXLNWUSGAIZWBY-ZRJCITRHSA-N
MW303.36 g/mol
LogP0.02
Rot. Bonds3

About (2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide

(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 125152093) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID125152093
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H21N3O3/c1-10-7-14(18-15(21)13-8-12(20)9-17-13)16(22)19(10)11-5-3-2-4-6-11/h2-6,10,12-14,17,20H,7-9H2,1H3,(H,18,21)/t10-,12-,13-,14+/m1/s1
InChIKeyMXLNWUSGAIZWBY-ZRJCITRHSA-N
XLogP0.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119336511
cis-(1S,3R)-2,2-dimethyl-3-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065674
3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
CID 71998925
(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120935420
2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 146085997
(2R)-2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119336526
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119806294
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119336507
(3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935424
1-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 119336522
N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806323
2-amino-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 119806331

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 125152093) is (2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide is C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2)C(=O)N1c1ccccc1.
What is the InChIKey of (2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is MXLNWUSGAIZWBY-ZRJCITRHSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-7-14(18-15(21)13-8-12(20)9-17-13)16(22)19(10)11-5-3-2-4-6-11/h2-6,10,12-14,17,20H,7-9H2,1H3,(H,18,21)/t10-,12-,13-,14+/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 125152093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).