methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate

C10H17F2NO2 — CID 165440626

IUPACmethyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate
SMILESCCC(NCC1CC(F)(F)C1)C(=O)OC
InChIInChI=1S/C10H17F2NO2/c1-3-8(9(14)15-2)13-6-7-4-10(11,12)5-7/h7-8,13H,3-6H2,1-2H3
InChIKeyOMJGCRUBZVVCSG-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.57
Rot. Bonds5

About methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate

methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate (PubChem CID 165440626) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate
PubChem CID165440626
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Namemethyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate
SMILESCCC(NCC1CC(F)(F)C1)C(=O)OC
InChIInChI=1S/C10H17F2NO2/c1-3-8(9(14)15-2)13-6-7-4-10(11,12)5-7/h7-8,13H,3-6H2,1-2H3
InChIKeyOMJGCRUBZVVCSG-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(2,2,2-trifluoroethylamino)pentanoate
CID 60997985
Methyl 3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 61325175
methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
CID 67444614
(R)-methyl 2-((R)-3,3-difluorocyclopentylamino)butanoate
CID 67444615
Methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate
CID 71602922
Methyl 2-(3,3-dimethylbutylamino)-2-(trifluoromethyl)butanoate
CID 87269651
methyl (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 90433862
methyl (2S)-4-methyl-2-[(2,2,2-trifluoroethyl)amino]pentanoate
CID 93416526
methyl 2-[[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]amino]propanoate
CID 122577418
Methyl 3-methyl-2-(3,4,4-trifluorobut-3-enylamino)butanoate
CID 15239151
Methyl 3-methyl-2-[(2,2,2-trifluoroethyl)amino]butanoate
CID 43452296
methyl (2S)-3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 43776159

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate?
The IUPAC name of methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate (CID 165440626) is methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate.
What is the SMILES notation for methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate?
The canonical SMILES for methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate is CCC(NCC1CC(F)(F)C1)C(=O)OC.
What is the InChIKey of methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate?
The InChIKey is OMJGCRUBZVVCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-3-8(9(14)15-2)13-6-7-4-10(11,12)5-7/h7-8,13H,3-6H2,1-2H3.
What are the key properties of methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate?
methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate has a molecular weight of 221.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,3-difluorocyclobutyl)methylamino]butanoate is sourced from PubChem (CID 165440626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).