2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid

C12H21F3N2O2 — CID 105415424

IUPAC2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCN(CC(C(=O)O)C(F)(F)F)CC1(N(C)C)CCC1
InChIInChI=1S/C12H21F3N2O2/c1-16(2)11(5-4-6-11)8-17(3)7-9(10(18)19)12(13,14)15/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyHTHIKKSFPAVZDN-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.67
Rot. Bonds6

About 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 105415424) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid
PubChem CID105415424
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCN(CC(C(=O)O)C(F)(F)F)CC1(N(C)C)CCC1
InChIInChI=1S/C12H21F3N2O2/c1-16(2)11(5-4-6-11)8-17(3)7-9(10(18)19)12(13,14)15/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyHTHIKKSFPAVZDN-UHFFFAOYSA-N
XLogP1.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid with MolForge

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Related Compounds

3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid
CID 105418423
3,3,3-trifluoro-2-[[methyl(2-methylpropyl)amino]methyl]propanoic acid
CID 80996963
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,5-difluorobenzoic acid
CID 105415374
3,3,3-trifluoro-2-(sulfanylmethyl)propanoic acid
CID 15311141
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992271
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105417432
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
CID 105418772

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid (CID 105415424) is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid is CN(CC(C(=O)O)C(F)(F)F)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is HTHIKKSFPAVZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-16(2)11(5-4-6-11)8-17(3)7-9(10(18)19)12(13,14)15/h9H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid?
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 282.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 105415424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).