(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

C11H14F3N3O3 — CID 142480215

IUPAC(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESN[C@H](CO)C(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)6-20-10-7(2-1-3-16-10)4-17-9(19)8(15)5-18/h1-3,8,18H,4-6,15H2,(H,17,19)/t8-/m1/s1
InChIKeyYHOIEOKZIUTOSY-MRVPVSSYSA-N
MW293.25 g/mol
LogP-0.04
Rot. Bonds6

About (2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 142480215) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
PubChem CID142480215
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESN[C@H](CO)C(=O)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)6-20-10-7(2-1-3-16-10)4-17-9(19)8(15)5-18/h1-3,8,18H,4-6,15H2,(H,17,19)/t8-/m1/s1
InChIKeyYHOIEOKZIUTOSY-MRVPVSSYSA-N
XLogP-0.04
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (CID 142480215) is (2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is N[C@H](CO)C(=O)NCc1cccnc1OCC(F)(F)F.
What is the InChIKey of (2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is YHOIEOKZIUTOSY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c12-11(13,14)6-20-10-7(2-1-3-16-10)4-17-9(19)8(15)5-18/h1-3,8,18H,4-6,15H2,(H,17,19)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 293.25 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 142480215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).