(3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide

C19H26BrN3O4 — CID 95784633

IUPAC(3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)CN1CCOCC1
InChIInChI=1S/C19H26BrN3O4/c1-19(26,13-22-6-8-27-9-7-22)12-21-18(25)14-10-17(24)23(11-14)16-5-3-2-4-15(16)20/h2-5,14,26H,6-13H2,1H3,(H,21,25)/t14-,19+/m0/s1
InChIKeyUEMJKBZVKVZLFW-IFXJQAMLSA-N
MW440.34 g/mol
LogP1.00
Rot. Bonds6

About (3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95784633) has the molecular formula C19H26BrN3O4 and a molecular weight of 440.34 g/mol. Its IUPAC name is (3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95784633
Molecular FormulaC19H26BrN3O4
Molecular Weight440.34 g/mol
Exact Mass439.11
IUPAC Name(3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)CN1CCOCC1
InChIInChI=1S/C19H26BrN3O4/c1-19(26,13-22-6-8-27-9-7-22)12-21-18(25)14-10-17(24)23(11-14)16-5-3-2-4-15(16)20/h2-5,14,26H,6-13H2,1H3,(H,21,25)/t14-,19+/m0/s1
InChIKeyUEMJKBZVKVZLFW-IFXJQAMLSA-N
XLogP1.00
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 95784632
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 17080666
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 60613303
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 51159436
2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187504
1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119445531
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 43066133
1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586344

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide (CID 95784633) is (3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide is C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)CN1CCOCC1.
What is the InChIKey of (3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UEMJKBZVKVZLFW-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H26BrN3O4/c1-19(26,13-22-6-8-27-9-7-22)12-21-18(25)14-10-17(24)23(11-14)16-5-3-2-4-15(16)20/h2-5,14,26H,6-13H2,1H3,(H,21,25)/t14-,19+/m0/s1.
What are the key properties of (3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 440.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-bromophenyl)-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95784633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).