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

C5H8F3NO2 — CID 28596013

IUPACmethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-11-4(10)2-9-3-5(6,7)8/h9H,2-3H2,1H3
InChIKeyMGVKXMPIGPKWQZ-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.31
Rot. Bonds3

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

methyl 2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 28596013) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is methyl 2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2,2-trifluoroethylamino)acetate
PubChem CID28596013
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Namemethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-11-4(10)2-9-3-5(6,7)8/h9H,2-3H2,1H3
InChIKeyMGVKXMPIGPKWQZ-UHFFFAOYSA-N
XLogP0.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2,2,2-trifluoroethylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Glycine, N-(trifluoroacetyl)-, methyl ester
CID 136228
Sarcosine methyl ester
CID 83545
Glycine, N-methyl-, methyl ester, hydrochloride (1:1)
CID 83544
Dimethyl Iminodiacetate Hydrochloride
CID 2727727
Ethyl 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate
CID 428827
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694
Methyl N-ethylglycinate
CID 12591596
Ethyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596014
Methyl 2-(ethylamino)acetate hydrochloride
CID 50988235
Methyl 2-[(2,2-difluoroethyl)amino]acetate
CID 60921367
Methyl 2-methyl-2-((2,2,2-trifluoroethyl)amino)propanoate
CID 60997980

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-(2,2,2-trifluoroethylamino)acetate (CID 28596013) is methyl 2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-(2,2,2-trifluoroethylamino)acetate is COC(=O)CNCC(F)(F)F.
What is the InChIKey of methyl 2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is MGVKXMPIGPKWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-11-4(10)2-9-3-5(6,7)8/h9H,2-3H2,1H3.
What are the key properties of methyl 2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 171.12 g/mol, XLogP of 0.31, 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)acetate is sourced from PubChem (CID 28596013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).