methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride

C4H7ClF3NO2 — CID 50851122

IUPACmethyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C4H6F3NO2.ClH/c1-10-3(9)2(8)4(5,6)7;/h2H,8H2,1H3;1H/t2-;/m1./s1
InChIKeyHFMMPCAGCWNDCW-HSHFZTNMSA-N
MW193.55 g/mol
LogP0.47
Rot. Bonds1

About methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride

methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride (PubChem CID 50851122) has the molecular formula C4H7ClF3NO2 and a molecular weight of 193.55 g/mol. Its IUPAC name is methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride
PubChem CID50851122
Molecular FormulaC4H7ClF3NO2
Molecular Weight193.55 g/mol
Exact Mass193.01
IUPAC Namemethyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C4H6F3NO2.ClH/c1-10-3(9)2(8)4(5,6)7;/h2H,8H2,1H3;1H/t2-;/m1./s1
InChIKeyHFMMPCAGCWNDCW-HSHFZTNMSA-N
XLogP0.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.55
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Alanine methyl ester hydrochloride
CID 2733257
Alanine, methyl ester, hydrochloride (1:1)
CID 2756298
Methyl D-alaninate hydrochloride
CID 11182647
Methyl 3,3,3-trifluoroalaninate
CID 14825459
Ethyl 2-amino-3,3,3-trifluoropropanoate
CID 10910004
Methyl 2-amino-3,3,3-trifluoropropanoate hydrochloride
CID 14825460
Ethyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
CID 23635341
Methyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
CID 44717559
2-Amino-3,3,3-Trifluoro-Propionic Acid Ethyl Ester Hydrochloride
CID 45790935
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

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride (CID 50851122) is methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride is COC(=O)[C@@H](N)C(F)(F)F.Cl.
What is the InChIKey of methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride?
The InChIKey is HFMMPCAGCWNDCW-HSHFZTNMSA-N. The full InChI is InChI=1S/C4H6F3NO2.ClH/c1-10-3(9)2(8)4(5,6)7;/h2H,8H2,1H3;1H/t2-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride?
methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride has a molecular weight of 193.55 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3,3,3-trifluoropropanoate;hydrochloride is sourced from PubChem (CID 50851122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).