2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid

C11H21NO4 — CID 82239374

IUPAC2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)N1CCOC(C)(C)C1
InChIInChI=1S/C11H21NO4/c1-10(2)7-12(5-6-16-10)11(3,8-15-4)9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeyHHUPOETZGPEPJA-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.59
Rot. Bonds4

About 2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid

2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid (PubChem CID 82239374) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid
PubChem CID82239374
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)N1CCOC(C)(C)C1
InChIInChI=1S/C11H21NO4/c1-10(2)7-12(5-6-16-10)11(3,8-15-4)9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeyHHUPOETZGPEPJA-UHFFFAOYSA-N
XLogP0.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid (CID 82239374) is 2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid is COCC(C)(C(=O)O)N1CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid?
The InChIKey is HHUPOETZGPEPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2)7-12(5-6-16-10)11(3,8-15-4)9(13)14/h5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid?
2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 82239374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).