(2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide

C19H26ClN3O3 — CID 124779011

IUPAC(2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCO[C@@H]([C@@H]2CCCO2)C1
InChIInChI=1S/C19H26ClN3O3/c20-14-3-1-4-16(11-14)22-7-6-15(12-22)21-19(24)23-8-10-26-18(13-23)17-5-2-9-25-17/h1,3-4,11,15,17-18H,2,5-10,12-13H2,(H,21,24)/t15-,17+,18-/m1/s1
InChIKeyKGMBCNYVGZRICZ-BPQIPLTHSA-N
MW379.89 g/mol
LogP2.51
Rot. Bonds3

About (2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide

(2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide (PubChem CID 124779011) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is (2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide
PubChem CID124779011
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name(2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCO[C@@H]([C@@H]2CCCO2)C1
InChIInChI=1S/C19H26ClN3O3/c20-14-3-1-4-16(11-14)22-7-6-15(12-22)21-19(24)23-8-10-26-18(13-23)17-5-2-9-25-17/h1,3-4,11,15,17-18H,2,5-10,12-13H2,(H,21,24)/t15-,17+,18-/m1/s1
InChIKeyKGMBCNYVGZRICZ-BPQIPLTHSA-N
XLogP2.51
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
(2S)-N-[(1R,3S)-3-cyclopropylcyclohexyl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide
CID 97068623
(2R,3S)-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942745
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 109463820
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 119899482
1-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-(2,2-difluoroethyl)urea
CID 124608563
1-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-(2,2-difluoroethyl)urea
CID 124608564
2-[[[[1-(3-chlorophenyl)pyrrolidin-3-yl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043272
N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
CID 97255932
3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119899508
(2S)-2-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-4-methylpentanamide;dihydrochloride
CID 119899554
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119899530

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide (CID 124779011) is (2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide is O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCO[C@@H]([C@@H]2CCCO2)C1.
What is the InChIKey of (2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide?
The InChIKey is KGMBCNYVGZRICZ-BPQIPLTHSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c20-14-3-1-4-16(11-14)22-7-6-15(12-22)21-19(24)23-8-10-26-18(13-23)17-5-2-9-25-17/h1,3-4,11,15,17-18H,2,5-10,12-13H2,(H,21,24)/t15-,17+,18-/m1/s1.
What are the key properties of (2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide?
(2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-2-[(2S)-oxolan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 124779011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).