2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide

C9H17F3N2O3 — CID 114010599

IUPAC2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide
SMILESCCC(CO)(CO)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-3-8(4-15,5-16)14-6(17)7(2,13)9(10,11)12/h15-16H,3-5,13H2,1-2H3,(H,14,17)
InChIKeyGRMLIKDSTXYNSY-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.48
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide (PubChem CID 114010599) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide
PubChem CID114010599
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide
SMILESCCC(CO)(CO)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-3-8(4-15,5-16)14-6(17)7(2,13)9(10,11)12/h15-16H,3-5,13H2,1-2H3,(H,14,17)
InChIKeyGRMLIKDSTXYNSY-UHFFFAOYSA-N
XLogP-0.48
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
CID 107865579
2-(aminomethyl)-2-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865773
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
CID 107866619
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxy-2-methylpropanamide
CID 107866520
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamic acid
CID 54273301
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
CID 64676838
N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
CID 63889752
2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
CID 113293905
6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide
CID 107865762
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide (CID 114010599) is 2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide is CCC(CO)(CO)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide?
The InChIKey is GRMLIKDSTXYNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-3-8(4-15,5-16)14-6(17)7(2,13)9(10,11)12/h15-16H,3-5,13H2,1-2H3,(H,14,17).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide has a molecular weight of 258.24 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 114010599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).