(3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride

C10H11ClF3NO2 — CID 122603832

IUPAC(3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
SMILESCl.N[C@H](CC(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2.ClH/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16;/h1-4,8H,5,14H2,(H,15,16);1H/t8-;/m1./s1
InChIKeyHFGWBVQLCHKTDR-DDWIOCJRSA-N
MW269.65 g/mol
LogP2.60
Rot. Bonds3

About (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride

(3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride (PubChem CID 122603832) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
PubChem CID122603832
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Name(3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
SMILESCl.N[C@H](CC(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2.ClH/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16;/h1-4,8H,5,14H2,(H,15,16);1H/t8-;/m1./s1
InChIKeyHFGWBVQLCHKTDR-DDWIOCJRSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
D-Phenylalanine
CID 71567
Dl-Phenylalanine
CID 994
p-Fluorophenylalanine
CID 4654
2-Fluoro-DL-phenylglycine
CID 580073
4-fluoro-L-phenylalanine
CID 716312
(3S)-3-amino-3-phenylpropanoic acid
CID 686704
2-amino-2-(2,3-difluorophenyl)acetic Acid
CID 2737049
3-Fluorophenylalanine
CID 9976
2-amino-2-(2,4-difluorophenyl)acetic Acid
CID 2737050
4-Fluoro-L-phenylalanine--hydrogen chloride (1/1)
CID 16213123
DL-beta-Phenylalanine
CID 69189

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride?
The IUPAC name of (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride (CID 122603832) is (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride is Cl.N[C@H](CC(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride?
The InChIKey is HFGWBVQLCHKTDR-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10F3NO2.ClH/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16;/h1-4,8H,5,14H2,(H,15,16);1H/t8-;/m1./s1.
What are the key properties of (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride?
(3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride has a molecular weight of 269.65 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 122603832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).