ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate

C6H10F3NO3 — CID 118989031

IUPACethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate
SMILESCCOC(=O)[C@H](N)[C@H](O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-2-13-5(12)3(10)4(11)6(7,8)9/h3-4,11H,2,10H2,1H3/t3-,4+/m1/s1
InChIKeyAHPCJKVVMOHKAR-DMTCNVIQSA-N
MW201.14 g/mol
LogP-0.20
Rot. Bonds3

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

ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate (PubChem CID 118989031) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate
PubChem CID118989031
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Nameethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate
SMILESCCOC(=O)[C@H](N)[C@H](O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-2-13-5(12)3(10)4(11)6(7,8)9/h3-4,11H,2,10H2,1H3/t3-,4+/m1/s1
InChIKeyAHPCJKVVMOHKAR-DMTCNVIQSA-N
XLogP-0.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate 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

diethyl 2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]propanedioate
CID 129383390
ethyl (2R,3S)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoate
CID 7154340
ethyl 2-amino-4-fluoro-3-hydroxybutanoate
CID 71346341
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate
CID 171247408
ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
ethyl 4,4,4-trifluoro-2-hydroxybutanoate
CID 19805842
ethyl 3,3,3-trifluoro-2-methoxypropanoate
CID 22913356
ethyl (2R)-2-amino-4,4,4-trifluoro-3-oxobutanoate
CID 124559893
ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
CID 150708955
ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate
CID 23236194
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate?
The IUPAC name of ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate (CID 118989031) is ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate.
What is the SMILES notation for ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate?
The canonical SMILES for ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate is CCOC(=O)[C@H](N)[C@H](O)C(F)(F)F.
What is the InChIKey of ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate?
The InChIKey is AHPCJKVVMOHKAR-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-2-13-5(12)3(10)4(11)6(7,8)9/h3-4,11H,2,10H2,1H3/t3-,4+/m1/s1.
What are the key properties of ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate?
ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate has a molecular weight of 201.14 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate is sourced from PubChem (CID 118989031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).