(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide

C10H11F3N2O2 — CID 81196961

IUPAC(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C10H11F3N2O2/c1-5(14)9(17)15-7-4-6(10(11,12)13)2-3-8(7)16/h2-5,16H,14H2,1H3,(H,15,17)/t5-/m0/s1
InChIKeyUZHKFFZDXDGOSY-YFKPBYRVSA-N
MW248.20 g/mol
LogP1.70
Rot. Bonds2

About (2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide

(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 81196961) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
PubChem CID81196961
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C10H11F3N2O2/c1-5(14)9(17)15-7-4-6(10(11,12)13)2-3-8(7)16/h2-5,16H,14H2,1H3,(H,15,17)/t5-/m0/s1
InChIKeyUZHKFFZDXDGOSY-YFKPBYRVSA-N
XLogP1.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 103930266
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
2-amino-N-(2-hydroxy-5-methylphenyl)propanamide;hydrochloride
CID 159728581
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
2-amino-N-[2-amino-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 110481478
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide (CID 81196961) is (2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide is C[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of (2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UZHKFFZDXDGOSY-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5(14)9(17)15-7-4-6(10(11,12)13)2-3-8(7)16/h2-5,16H,14H2,1H3,(H,15,17)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide?
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 248.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 81196961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).