methyl 2-(2,2,2-trifluoroethylamino)propanoate

C6H10F3NO2 — CID 60997983

IUPACmethyl 2-(2,2,2-trifluoroethylamino)propanoate
SMILESCOC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(5(11)12-2)10-3-6(7,8)9/h4,10H,3H2,1-2H3
InChIKeyNHARJKLRSIMLTO-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.70
Rot. Bonds3

About methyl 2-(2,2,2-trifluoroethylamino)propanoate

methyl 2-(2,2,2-trifluoroethylamino)propanoate (PubChem CID 60997983) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is methyl 2-(2,2,2-trifluoroethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,2,2-trifluoroethylamino)propanoate
PubChem CID60997983
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Namemethyl 2-(2,2,2-trifluoroethylamino)propanoate
SMILESCOC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(5(11)12-2)10-3-6(7,8)9/h4,10H,3H2,1-2H3
InChIKeyNHARJKLRSIMLTO-UHFFFAOYSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-((propan-2-yl)amino)acetate
CID 351625
(S)-2-(Methylamino)propanoic acid methyl ester
CID 11040900
Methyl 2-((butan-2-yl)amino)acetate
CID 43177489
methyl (2S)-2-(methylamino)propanoate hydrochloride
CID 13850987
Methyl 2-[(propan-2-yl)amino]acetate
CID 18786985
Methyl N-methylalaninate hydrochloride
CID 23437773
Methyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596013
Ethyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596014
Methyl 2-(ethylamino)-2-methylpropanoate
CID 43726158
Methyl 2-(cyclopropylamino)propanoate
CID 50989096
Methyl 2-(ethylamino)propanoate
CID 53407612
methyl (2R)-2-(methylamino)propanoate hydrochloride
CID 60149789

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,2-trifluoroethylamino)propanoate?
The IUPAC name of methyl 2-(2,2,2-trifluoroethylamino)propanoate (CID 60997983) is methyl 2-(2,2,2-trifluoroethylamino)propanoate.
What is the SMILES notation for methyl 2-(2,2,2-trifluoroethylamino)propanoate?
The canonical SMILES for methyl 2-(2,2,2-trifluoroethylamino)propanoate is COC(=O)C(C)NCC(F)(F)F.
What is the InChIKey of methyl 2-(2,2,2-trifluoroethylamino)propanoate?
The InChIKey is NHARJKLRSIMLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(5(11)12-2)10-3-6(7,8)9/h4,10H,3H2,1-2H3.
What are the key properties of methyl 2-(2,2,2-trifluoroethylamino)propanoate?
methyl 2-(2,2,2-trifluoroethylamino)propanoate has a molecular weight of 185.14 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,2-trifluoroethylamino)propanoate is sourced from PubChem (CID 60997983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).