methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate

C8H12F3NO2 — CID 61310386

IUPACmethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)C1CC1
InChIInChI=1S/C8H12F3NO2/c1-14-7(13)6(5-2-3-5)12-4-8(9,10)11/h5-6,12H,2-4H2,1H3
InChIKeyYPCKFOMJYZAFPX-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.09
Rot. Bonds4

About methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate

methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 61310386) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID61310386
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Namemethyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)C1CC1
InChIInChI=1S/C8H12F3NO2/c1-14-7(13)6(5-2-3-5)12-4-8(9,10)11/h5-6,12H,2-4H2,1H3
InChIKeyYPCKFOMJYZAFPX-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl N-(trifluoroacetyl)-L-leucinate
CID 14389998
Methyl 4-methyl-2-(methylamino)pentanoate
CID 523517
Methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate
CID 62389449
Methyl 2-cyclopropyl-2-(methylamino)acetate hydrochloride
CID 170913420
cis-methyl (1S,2S)-1-acetamido-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 101861371
trans-methyl (1S,2R)-1-acetamido-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 101861372
methyl (2S,4R)-5,5,5-trifluoro-2,4-dimethyl-2-(methylamino)pentanoate
CID 134833336
methyl (2S)-4-fluoro-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 138971641
methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate
CID 7015051
methyl (2S)-4-methyl-2-(methylamino)pentanoate
CID 10921446
ethyl (3S)-3-cyclopropyl-2,2-difluoro-3-[(2-methoxy-2-oxoethyl)amino]propanoate
CID 124260658
methyl (2S,3S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 11514247

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate (CID 61310386) is methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate is COC(=O)C(NCC(F)(F)F)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is YPCKFOMJYZAFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-14-7(13)6(5-2-3-5)12-4-8(9,10)11/h5-6,12H,2-4H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 211.18 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 61310386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).