ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate

C7H12F3NO3 — CID 150708955

IUPACethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
SMILESCCOC(=O)[C@H](OC)[C@@H](N)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-3-14-6(12)4(13-2)5(11)7(8,9)10/h4-5H,3,11H2,1-2H3/t4-,5-/m1/s1
InChIKeyJNLVOUYPKWPCAE-RFZPGFLSSA-N
MW215.17 g/mol
LogP0.45
Rot. Bonds4

About ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate

ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate (PubChem CID 150708955) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
PubChem CID150708955
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Nameethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
SMILESCCOC(=O)[C@H](OC)[C@@H](N)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-3-14-6(12)4(13-2)5(11)7(8,9)10/h4-5H,3,11H2,1-2H3/t4-,5-/m1/s1
InChIKeyJNLVOUYPKWPCAE-RFZPGFLSSA-N
XLogP0.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
CID 150203117
ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate
CID 171247408
ethyl 3,3,3-trifluoro-2-methoxypropanoate
CID 22913356
diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate
CID 25110848
ethyl 3,3-diethoxy-2-methoxypropanoate
CID 21412310
ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate
CID 118989031
ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride
CID 71743234
ethyl (2S,3S)-3-amino-2-cyclohexyl-4,4,4-trifluorobutanoate
CID 151431520
dipropyl 2,3-dimethoxybutanedioate
CID 139989452
ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
ethyl (2R)-2-amino-4,4,4-trifluoro-3-oxobutanoate
CID 124559893
diethyl 2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]propanedioate
CID 129383390

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate?
The IUPAC name of ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate (CID 150708955) is ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate.
What is the SMILES notation for ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate?
The canonical SMILES for ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate is CCOC(=O)[C@H](OC)[C@@H](N)C(F)(F)F.
What is the InChIKey of ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate?
The InChIKey is JNLVOUYPKWPCAE-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-3-14-6(12)4(13-2)5(11)7(8,9)10/h4-5H,3,11H2,1-2H3/t4-,5-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate?
ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate has a molecular weight of 215.17 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate is sourced from PubChem (CID 150708955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).