(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride

C10H11ClF3NO2 — CID 70396807

IUPAC(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
SMILESCl.N[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C10H10F3NO2.ClH/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16;/h1-4,8H,5,14H2,(H,15,16);1H/t8-;/m1./s1
InChIKeyRUHKJYUDJXZMFH-DDWIOCJRSA-N
MW269.65 g/mol
LogP2.08
Rot. Bonds3

About (2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride

(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride (PubChem CID 70396807) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is (2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
PubChem CID70396807
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Name(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
SMILESCl.N[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C10H10F3NO2.ClH/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16;/h1-4,8H,5,14H2,(H,15,16);1H/t8-;/m1./s1
InChIKeyRUHKJYUDJXZMFH-DDWIOCJRSA-N
XLogP2.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(3-tert-butylphenyl)propanoic acid;hydrochloride
CID 20706030
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
(2S)-2-amino-3-[3-(1-fluoro-1-phosphonoethyl)phenyl]propanoic acid
CID 57039581
[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride
CID 86694778
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
2-amino-3-(3-fluorophenyl)propanoic acid;2,2,2-trifluoroacetic acid
CID 155543413
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 154975964
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
(2S)-2-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79016437
(2S)-2-amino-3-[3-(1-phenyl-1-phosphonoethyl)phenyl]propanoic acid
CID 57029804

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride (CID 70396807) is (2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride is Cl.N[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride?
The InChIKey is RUHKJYUDJXZMFH-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10F3NO2.ClH/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16;/h1-4,8H,5,14H2,(H,15,16);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride?
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride has a molecular weight of 269.65 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 70396807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).