methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate

C11H20N2O4 — CID 941681

IUPACmethyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C11H20N2O4/c1-7-5-13(6-8(2)17-7)11(15)12-9(3)10(14)16-4/h7-9H,5-6H2,1-4H3,(H,12,15)/t7-,8-,9+/m1/s1
InChIKeyMEPTWZYFXREREN-HLTSFMKQSA-N
MW244.29 g/mol
LogP0.37
Rot. Bonds2

About methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate

methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate (PubChem CID 941681) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate
PubChem CID941681
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C11H20N2O4/c1-7-5-13(6-8(2)17-7)11(15)12-9(3)10(14)16-4/h7-9H,5-6H2,1-4H3,(H,12,15)/t7-,8-,9+/m1/s1
InChIKeyMEPTWZYFXREREN-HLTSFMKQSA-N
XLogP0.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate
CID 946677
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
(2S)-5-amino-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-5-oxopentanoic acid
CID 104959619
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 104959540
(2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61187607
(3S,4S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085897
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 55230725
(2R,6R)-4-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 125131288
(2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide
CID 124615607
(2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one
CID 134519515
3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 104959652

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate (CID 941681) is methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate?
The InChIKey is MEPTWZYFXREREN-HLTSFMKQSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-5-13(6-8(2)17-7)11(15)12-9(3)10(14)16-4/h7-9H,5-6H2,1-4H3,(H,12,15)/t7-,8-,9+/m1/s1.
What are the key properties of methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate?
methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate has a molecular weight of 244.29 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 941681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).