[1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid

C11H20N2O4 — CID 134519440

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid
SMILESCCC(NC(=O)O)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H20N2O4/c1-4-9(12-11(15)16)10(14)13-5-7(2)17-8(3)6-13/h7-9,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyMGCDPUMCJOWJMD-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds3

About [1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid

[1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid (PubChem CID 134519440) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid
PubChem CID134519440
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid
SMILESCCC(NC(=O)O)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H20N2O4/c1-4-9(12-11(15)16)10(14)13-5-7(2)17-8(3)6-13/h7-9,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyMGCDPUMCJOWJMD-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 104958278
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994
(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 104959540
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119261693
N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide
CID 94006107
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631730
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
(2S)-2-bromo-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 124552619
(2R,6R)-2,6-dimethyl-N-[(2R)-1-methylsulfanylbutan-2-yl]morpholine-4-carboxamide
CID 124615607
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786496

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid (CID 134519440) is [1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid is CCC(NC(=O)O)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid?
The InChIKey is MGCDPUMCJOWJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-9(12-11(15)16)10(14)13-5-7(2)17-8(3)6-13/h7-9,12H,4-6H2,1-3H3,(H,15,16).
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid?
[1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 134519440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).