3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide

C11H13F3N2O2 — CID 153385822

IUPAC3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide
SMILESNC(=O)C(O)C(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)5-8(15)9(17)10(16)18/h1-4,8-9,17H,5,15H2,(H2,16,18)
InChIKeyJCVLXBPYQOCKQK-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.42
Rot. Bonds4

About 3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide

3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 153385822) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID153385822
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide
SMILESNC(=O)C(O)C(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)5-8(15)9(17)10(16)18/h1-4,8-9,17H,5,15H2,(H2,16,18)
InChIKeyJCVLXBPYQOCKQK-UHFFFAOYSA-N
XLogP0.42
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide
CID 75480705
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 22261902
(2R)-2-[[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-methylamino]propanamide
CID 110027716
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
3-ethoxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 103973539
(2R,4S)-2-amino-4-[[4-(trifluoromethyl)phenyl]methyl]pentanedioic acid
CID 11120288
2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 22262196
(2R)-2-amino-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86315213
3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 64541975
tert-butyl N-[1-amino-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 155783295
N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide (CID 153385822) is 3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide is NC(=O)C(O)C(N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is JCVLXBPYQOCKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)5-8(15)9(17)10(16)18/h1-4,8-9,17H,5,15H2,(H2,16,18).
What are the key properties of 3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide?
3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 262.23 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 153385822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).