2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid

C11H20N2O4 — CID 61266346

IUPAC2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC1CN(C(=O)NC(C)(C)C(=O)O)C(C)CO1
InChIInChI=1S/C11H20N2O4/c1-7-6-17-8(2)5-13(7)10(16)12-11(3,4)9(14)15/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyGXZYSIUVWGNJST-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds2

About 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid

2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 61266346) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID61266346
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC1CN(C(=O)NC(C)(C)C(=O)O)C(C)CO1
InChIInChI=1S/C11H20N2O4/c1-7-6-17-8(2)5-13(7)10(16)12-11(3,4)9(14)15/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyGXZYSIUVWGNJST-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

2-(2,5-dimethylmorpholin-4-yl)-2-methylpropanoic acid
CID 82235052
(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838466
1-[(2,5-dimethylmorpholine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61202041
2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpentanoic acid
CID 61424809
5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 61201292
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 103928484
(2S)-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 61202045
5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82687889
2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid
CID 81085268
N-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 47412713
1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107022948
1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone
CID 103515326

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid (CID 61266346) is 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid is CC1CN(C(=O)NC(C)(C)C(=O)O)C(C)CO1.
What is the InChIKey of 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is GXZYSIUVWGNJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-6-17-8(2)5-13(7)10(16)12-11(3,4)9(14)15/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid?
2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61266346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).