tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate

C13H17F3N2O3 — CID 125456376

IUPACtert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate
SMILESCC(C)(C)OC(=O)[C@H](N)[C@@H](O)c1ncccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O3/c1-12(2,3)21-11(20)8(17)10(19)9-7(13(14,15)16)5-4-6-18-9/h4-6,8,10,19H,17H2,1-3H3/t8-,10-/m1/s1
InChIKeyFWUOPFXZNDNGTH-PSASIEDQSA-N
MW306.28 g/mol
LogP1.80
Rot. Bonds3

About tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate

tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate (PubChem CID 125456376) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate
PubChem CID125456376
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Nametert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate
SMILESCC(C)(C)OC(=O)[C@H](N)[C@@H](O)c1ncccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O3/c1-12(2,3)21-11(20)8(17)10(19)9-7(13(14,15)16)5-4-6-18-9/h4-6,8,10,19H,17H2,1-3H3/t8-,10-/m1/s1
InChIKeyFWUOPFXZNDNGTH-PSASIEDQSA-N
XLogP1.80
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate 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

tert-butyl (2R,3S)-2-amino-3-hydroxy-3-(3-methyl-2-pyridinyl)propanoate
CID 125456367
(2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 125457933
tert-butyl (2S,3S)-2-amino-3-(2-bromo-3-pyridinyl)-3-hydroxypropanoate
CID 125456888
3,4-dihydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]butanamide
CID 171899581
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
tert-butyl 2-amino-3-hydroxy-3-pyridin-4-ylpropanoate
CID 165488428
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate
CID 12071973
(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol
CID 131168070
tert-butyl (2S,3R)-2-amino-3-(6-bromo-3-pyridinyl)-3-hydroxypropanoate
CID 125458790
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
tert-butyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate
CID 142451308

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate?
The IUPAC name of tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate (CID 125456376) is tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate.
What is the SMILES notation for tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate?
The canonical SMILES for tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate is CC(C)(C)OC(=O)[C@H](N)[C@@H](O)c1ncccc1C(F)(F)F.
What is the InChIKey of tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate?
The InChIKey is FWUOPFXZNDNGTH-PSASIEDQSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-12(2,3)21-11(20)8(17)10(19)9-7(13(14,15)16)5-4-6-18-9/h4-6,8,10,19H,17H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate?
tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate has a molecular weight of 306.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate is sourced from PubChem (CID 125456376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).