2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid

C11H21NO3 — CID 115221048

IUPAC2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
SMILESCC(C)(CCNC1CCOCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-11(2,10(13)14)5-6-12-9-3-7-15-8-4-9/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyIHOVOOZEYTXWDE-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.26
Rot. Bonds5

About 2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid

2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid (PubChem CID 115221048) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
PubChem CID115221048
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
SMILESCC(C)(CCNC1CCOCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-11(2,10(13)14)5-6-12-9-3-7-15-8-4-9/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyIHOVOOZEYTXWDE-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid (CID 115221048) is 2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid is CC(C)(CCNC1CCOCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid?
The InChIKey is IHOVOOZEYTXWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,10(13)14)5-6-12-9-3-7-15-8-4-9/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid?
2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid is sourced from PubChem (CID 115221048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).