(2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride

C13H24ClN3O3 — CID 120930374

IUPAC(2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride
SMILESCC(C)N1CC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1=O.Cl
InChIInChI=1S/C13H23N3O3.ClH/c1-8(2)16-7-10(6-11(16)17)15-13(18)12-9(3)19-5-4-14-12;/h8-10,12,14H,4-7H2,1-3H3,(H,15,18);1H/t9-,10?,12+;/m1./s1
InChIKeyGCVPSZDZROLXLX-LPHDOGCFSA-N
MW305.81 g/mol
LogP-0.09
Rot. Bonds3

About (2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride (PubChem CID 120930374) has the molecular formula C13H24ClN3O3 and a molecular weight of 305.81 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride
PubChem CID120930374
Molecular FormulaC13H24ClN3O3
Molecular Weight305.81 g/mol
Exact Mass305.15
IUPAC Name(2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride
SMILESCC(C)N1CC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1=O.Cl
InChIInChI=1S/C13H23N3O3.ClH/c1-8(2)16-7-10(6-11(16)17)15-13(18)12-9(3)19-5-4-14-12;/h8-10,12,14H,4-7H2,1-3H3,(H,15,18);1H/t9-,10?,12+;/m1./s1
InChIKeyGCVPSZDZROLXLX-LPHDOGCFSA-N
XLogP-0.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)morpholine-3-carboxamide
CID 120928847
(2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937589
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
CID 120933471
(2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide
CID 120930289
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
(2R,3S)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)morpholine-3-carboxamide;hydrochloride
CID 120937079
(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 120922485
(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 120941940
(2R,3S)-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide
CID 120942818
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900
N,2-dimethylmorpholine-3-carboxamide
CID 131024914

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride (CID 120930374) is (2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride is CC(C)N1CC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1=O.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is GCVPSZDZROLXLX-LPHDOGCFSA-N. The full InChI is InChI=1S/C13H23N3O3.ClH/c1-8(2)16-7-10(6-11(16)17)15-13(18)12-9(3)19-5-4-14-12;/h8-10,12,14H,4-7H2,1-3H3,(H,15,18);1H/t9-,10?,12+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120930374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).