3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide

C5H9F3N2O2 — CID 104711195

IUPAC3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide
SMILESNC(=O)C(CO)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)2-10-3(1-11)4(9)12/h3,10-11H,1-2H2,(H2,9,12)
InChIKeyPQOKHXZSRIFMSL-UHFFFAOYSA-N
MW186.13 g/mol
LogP-1.02
Rot. Bonds4

About 3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide

3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 104711195) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is 3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound Name3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID104711195
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC Name3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide
SMILESNC(=O)C(CO)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)2-10-3(1-11)4(9)12/h3,10-11H,1-2H2,(H2,9,12)
InChIKeyPQOKHXZSRIFMSL-UHFFFAOYSA-N
XLogP-1.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide
CID 66427817
3-fluoro-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 174624224
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
(2R)-3-hydroxy-2-(phosphanylamino)propanamide
CID 89122191
(2R)-2-(tert-butylamino)-3-hydroxypropanamide
CID 87261665
(2S)-2-(2,2,2-trifluoroethylamino)pentanedioic acid
CID 118468848
2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]ethylphosphonic acid
CID 87479574
(1-amino-4,4,4-trifluoro-1-oxobutan-2-yl)carbamic acid
CID 123990881
N'-(2,2,2-trifluoroethyl)propanediamide
CID 87594985
methyl 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 60997986
2-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 116684979

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of 3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide (CID 104711195) is 3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for 3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for 3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide is NC(=O)C(CO)NCC(F)(F)F.
What is the InChIKey of 3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is PQOKHXZSRIFMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2/c6-5(7,8)2-10-3(1-11)4(9)12/h3,10-11H,1-2H2,(H2,9,12).
What are the key properties of 3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide?
3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 186.13 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 104711195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).