methyl 2-amino-3,3,3-trifluoropropanoate

C4H6F3NO2 — CID 14825459

IUPACmethyl 2-amino-3,3,3-trifluoropropanoate
SMILESCOC(=O)C(N)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-10-3(9)2(8)4(5,6)7/h2H,8H2,1H3
InChIKeyMPSBBPUJPYCDGC-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.05
Rot. Bonds1

About methyl 2-amino-3,3,3-trifluoropropanoate

methyl 2-amino-3,3,3-trifluoropropanoate (PubChem CID 14825459) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is methyl 2-amino-3,3,3-trifluoropropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3,3,3-trifluoropropanoate
PubChem CID14825459
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Namemethyl 2-amino-3,3,3-trifluoropropanoate
SMILESCOC(=O)C(N)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-10-3(9)2(8)4(5,6)7/h2H,8H2,1H3
InChIKeyMPSBBPUJPYCDGC-UHFFFAOYSA-N
XLogP0.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-amino-3,3,3-trifluoropropanoate
CID 10910004
Methyl 2-amino-3,3,3-trifluoropropanoate hydrochloride
CID 14825460
Methyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
CID 44717559
2-Amino-3,3,3-Trifluoro-Propionic Acid Ethyl Ester Hydrochloride
CID 45790935
3,3,3-Trifluoroalanine methyl ester hydrochloride
CID 50851122
3-Fluoro-D-alanine methyl ester, hydrochloride
CID 56846386
Methyl 2-amino-4,4-difluorobutanoate hydrochloride
CID 71757569
3-Fluoro-L-alanine methyl ester, hydrochloride
CID 102601639
Ethyl 2-amino-4,4,4-trifluorobutanoate
CID 23635342
trifluoromethyl (2S)-2-aminopropanoate
CID 54564120
Methyl 2-amino-3,3-difluoropropanoate
CID 59417374
Alanine trifluoroacetate
CID 129808330

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3,3,3-trifluoropropanoate?
The IUPAC name of methyl 2-amino-3,3,3-trifluoropropanoate (CID 14825459) is methyl 2-amino-3,3,3-trifluoropropanoate.
What is the SMILES notation for methyl 2-amino-3,3,3-trifluoropropanoate?
The canonical SMILES for methyl 2-amino-3,3,3-trifluoropropanoate is COC(=O)C(N)C(F)(F)F.
What is the InChIKey of methyl 2-amino-3,3,3-trifluoropropanoate?
The InChIKey is MPSBBPUJPYCDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c1-10-3(9)2(8)4(5,6)7/h2H,8H2,1H3.
What are the key properties of methyl 2-amino-3,3,3-trifluoropropanoate?
methyl 2-amino-3,3,3-trifluoropropanoate has a molecular weight of 157.09 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3,3,3-trifluoropropanoate is sourced from PubChem (CID 14825459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).