(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide

C11H21N3O3 — CID 120919423

IUPAC(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
SMILESCCCNC(=O)CNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C11H21N3O3/c1-3-4-12-9(15)7-14-11(16)10-8(2)17-6-5-13-10/h8,10,13H,3-7H2,1-2H3,(H,12,15)(H,14,16)/t8-,10+/m1/s1
InChIKeyWNIKFMHRHMVUEO-SCZZXKLOSA-N
MW243.31 g/mol
LogP-0.99
Rot. Bonds5

About (2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide (PubChem CID 120919423) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
PubChem CID120919423
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
SMILESCCCNC(=O)CNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C11H21N3O3/c1-3-4-12-9(15)7-14-11(16)10-8(2)17-6-5-13-10/h8,10,13H,3-7H2,1-2H3,(H,12,15)(H,14,16)/t8-,10+/m1/s1
InChIKeyWNIKFMHRHMVUEO-SCZZXKLOSA-N
XLogP-0.99
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939379
(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929051
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 120928792
(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924338
(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide
CID 120937497
(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937480
(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
CID 120931039
(2R,3S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926240
N,2-dimethylmorpholine-3-carboxamide
CID 131024914

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide (CID 120919423) is (2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide is CCCNC(=O)CNC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide?
The InChIKey is WNIKFMHRHMVUEO-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-4-12-9(15)7-14-11(16)10-8(2)17-6-5-13-10/h8,10,13H,3-7H2,1-2H3,(H,12,15)(H,14,16)/t8-,10+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 120919423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).