(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide

C8H16N2O2 — CID 126987751

IUPAC(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide
SMILESCCN1CCO[C@H](C)[C@H]1C(N)=O
InChIInChI=1S/C8H16N2O2/c1-3-10-4-5-12-6(2)7(10)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7+/m1/s1
InChIKeyIMLPCKWSTTWAPX-RQJHMYQMSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds2

About (2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide

(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide (PubChem CID 126987751) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide
PubChem CID126987751
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide
SMILESCCN1CCO[C@H](C)[C@H]1C(N)=O
InChIInChI=1S/C8H16N2O2/c1-3-10-4-5-12-6(2)7(10)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7+/m1/s1
InChIKeyIMLPCKWSTTWAPX-RQJHMYQMSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide
CID 128986897
(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide
CID 128986958
(2R,3S)-2-methyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholine-3-carboxamide
CID 128987044
(2R,3S)-2-methyl-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
CID 128986971
(2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
CID 128986916
(2R,3S)-4-[(4-bromo-2-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983411
(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983412
(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983267
(2R,3S)-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 128987041
(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983261
(2R,3S)-4-[2-(3-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 128987031
ethyl (2S,3R)-4-benzyl-2-methylmorpholine-3-carboxylate
CID 86651574

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide (CID 126987751) is (2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide is CCN1CCO[C@H](C)[C@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide?
The InChIKey is IMLPCKWSTTWAPX-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-10-4-5-12-6(2)7(10)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-,7+/m1/s1.
What are the key properties of (2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide has a molecular weight of 172.23 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 126987751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).