(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide

C12H23N3O2 — CID 120939853

IUPAC(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC1CCCN1C
InChIInChI=1S/C12H23N3O2/c1-9-11(13-5-7-17-9)12(16)14-8-10-4-3-6-15(10)2/h9-11,13H,3-8H2,1-2H3,(H,14,16)/t9-,10?,11+/m1/s1
InChIKeyLILOKLYHHYMIJY-FBKFWFMHSA-N
MW241.33 g/mol
LogP-0.43
Rot. Bonds3

About (2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide (PubChem CID 120939853) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide
PubChem CID120939853
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC1CCCN1C
InChIInChI=1S/C12H23N3O2/c1-9-11(13-5-7-17-9)12(16)14-8-10-4-3-6-15(10)2/h9-11,13H,3-8H2,1-2H3,(H,14,16)/t9-,10?,11+/m1/s1
InChIKeyLILOKLYHHYMIJY-FBKFWFMHSA-N
XLogP-0.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940954
(2R,3S)-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 120940981
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-2-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939237
(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
(2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939493
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide
CID 120942873
6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026312
(2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120941888
(2R,3S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 120923595
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide (CID 120939853) is (2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCC1CCCN1C.
What is the InChIKey of (2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide?
The InChIKey is LILOKLYHHYMIJY-FBKFWFMHSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-11(13-5-7-17-9)12(16)14-8-10-4-3-6-15(10)2/h9-11,13H,3-8H2,1-2H3,(H,14,16)/t9-,10?,11+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.43, 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-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120939853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).