4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid

C11H19NO5 — CID 112602092

IUPAC4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OCC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-7-9(13)12-4-5-16-8(6-12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyYVSHXFULFGNCBL-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.11
Rot. Bonds3

About 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid

4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid (PubChem CID 112602092) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
PubChem CID112602092
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OCC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-7-9(13)12-4-5-16-8(6-12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyYVSHXFULFGNCBL-UHFFFAOYSA-N
XLogP0.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide
CID 113355691
1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604041
4-(2-butoxyacetyl)morpholine-2-carboxylic acid
CID 119239275
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid
CID 112602165
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
4-(4-methylsulfanylbutanoyl)morpholine-2-carboxylic acid
CID 119357821
(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
CID 62846931
4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid
CID 79261444
(2S)-4-[3-(2-methylpropoxy)propanoyl]morpholine-2-carboxylic acid
CID 125154347

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid (CID 112602092) is 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid is CC(C)(C)OCC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid?
The InChIKey is YVSHXFULFGNCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-7-9(13)12-4-5-16-8(6-12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid?
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 112602092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).