4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid

C12H23NO3 — CID 106204533

IUPAC4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
SMILESCNC(C)(CCOCCC1CCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-12(13-2,11(14)15)7-9-16-8-6-10-4-3-5-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyWVXWPUVPHBWSBY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.65
Rot. Bonds8

About 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid

4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid (PubChem CID 106204533) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
PubChem CID106204533
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
SMILESCNC(C)(CCOCCC1CCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-12(13-2,11(14)15)7-9-16-8-6-10-4-3-5-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyWVXWPUVPHBWSBY-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)butanamide
CID 106204321
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 106204603
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
CID 66324387
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid
CID 106204271
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
CID 106204275
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 82005976
2-methyl-2-(methylamino)-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82793311
2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid
CID 115001166
methyl 3-(2-cyclobutylethoxy)propanoate
CID 106199365

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid?
The IUPAC name of 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid (CID 106204533) is 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid is CNC(C)(CCOCCC1CCC1)C(=O)O.
What is the InChIKey of 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid?
The InChIKey is WVXWPUVPHBWSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(13-2,11(14)15)7-9-16-8-6-10-4-3-5-10/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid?
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid is sourced from PubChem (CID 106204533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).