2,2-dimethyl-4-morpholin-4-ylbutanoic acid

C10H19NO3 — CID 65248548

IUPAC2,2-dimethyl-4-morpholin-4-ylbutanoic acid
SMILESCC(C)(CCN1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(2,9(12)13)3-4-11-5-7-14-8-6-11/h3-8H2,1-2H3,(H,12,13)
InChIKeyZUKXITCANLSLLL-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds4

About 2,2-dimethyl-4-morpholin-4-ylbutanoic acid

2,2-dimethyl-4-morpholin-4-ylbutanoic acid (PubChem CID 65248548) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-morpholin-4-ylbutanoic acid
PubChem CID65248548
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2,2-dimethyl-4-morpholin-4-ylbutanoic acid
SMILESCC(C)(CCN1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(2,9(12)13)3-4-11-5-7-14-8-6-11/h3-8H2,1-2H3,(H,12,13)
InChIKeyZUKXITCANLSLLL-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-morpholin-4-ylbutanoic acid?
The IUPAC name of 2,2-dimethyl-4-morpholin-4-ylbutanoic acid (CID 65248548) is 2,2-dimethyl-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-morpholin-4-ylbutanoic acid is CC(C)(CCN1CCOCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-morpholin-4-ylbutanoic acid?
The InChIKey is ZUKXITCANLSLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,9(12)13)3-4-11-5-7-14-8-6-11/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-4-morpholin-4-ylbutanoic acid?
2,2-dimethyl-4-morpholin-4-ylbutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 65248548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).