(2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide

C17H24ClN3O3 — CID 124701792

IUPAC(2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C17H24ClN3O3/c18-14-4-2-1-3-13(14)16(21-5-7-24-8-6-21)11-20-17(23)15-9-12(22)10-19-15/h1-4,12,15-16,19,22H,5-11H2,(H,20,23)/t12-,15+,16-/m1/s1
InChIKeyQPQRDEHHEJUWMG-UHOFOFEASA-N
MW353.85 g/mol
LogP0.55
Rot. Bonds5

About (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 124701792) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID124701792
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name(2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C17H24ClN3O3/c18-14-4-2-1-3-13(14)16(21-5-7-24-8-6-21)11-20-17(23)15-9-12(22)10-19-15/h1-4,12,15-16,19,22H,5-11H2,(H,20,23)/t12-,15+,16-/m1/s1
InChIKeyQPQRDEHHEJUWMG-UHOFOFEASA-N
XLogP0.55
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-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

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119849605
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119849610
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119832268
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 55610194
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 46412316
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55609929
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 124701792) is (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is QPQRDEHHEJUWMG-UHOFOFEASA-N. The full InChI is InChI=1S/C17H24ClN3O3/c18-14-4-2-1-3-13(14)16(21-5-7-24-8-6-21)11-20-17(23)15-9-12(22)10-19-15/h1-4,12,15-16,19,22H,5-11H2,(H,20,23)/t12-,15+,16-/m1/s1.
What are the key properties of (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 124701792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).