(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide

C16H21N3O3 — CID 120932111

IUPAC(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H21N3O3/c1-11-14(17-8-10-22-11)15(20)18-13-7-9-19(16(13)21)12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10H2,1H3,(H,18,20)/t11-,13?,14+/m1/s1
InChIKeyYAUBAAURBNADLC-VFXSIBAZSA-N
MW303.36 g/mol
LogP0.28
Rot. Bonds3

About (2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide

(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide (PubChem CID 120932111) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
PubChem CID120932111
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H21N3O3/c1-11-14(17-8-10-22-11)15(20)18-13-7-9-19(16(13)21)12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10H2,1H3,(H,18,20)/t11-,13?,14+/m1/s1
InChIKeyYAUBAAURBNADLC-VFXSIBAZSA-N
XLogP0.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120932993
(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120935420
(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 120941940
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249
(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918838
(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide
CID 120935072
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
(2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120922098
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)morpholine-3-carboxamide
CID 120928847

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide (CID 120932111) is (2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NC1CCN(c2ccccc2)C1=O.
What is the InChIKey of (2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide?
The InChIKey is YAUBAAURBNADLC-VFXSIBAZSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-14(17-8-10-22-11)15(20)18-13-7-9-19(16(13)21)12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10H2,1H3,(H,18,20)/t11-,13?,14+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.28, 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-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide is sourced from PubChem (CID 120932111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).