(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid

C10H9ClF3NO2 — CID 124514915

IUPAC(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
SMILESN[C@H](CC(=O)O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO2/c11-7-2-5(8(15)4-9(16)17)1-6(3-7)10(12,13)14/h1-3,8H,4,15H2,(H,16,17)/t8-/m1/s1
InChIKeyCZJBOVBYHSVURK-MRVPVSSYSA-N
MW267.63 g/mol
LogP2.83
Rot. Bonds3

About (3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid

(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 124514915) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is (3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
PubChem CID124514915
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
SMILESN[C@H](CC(=O)O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO2/c11-7-2-5(8(15)4-9(16)17)1-6(3-7)10(12,13)14/h1-3,8H,4,15H2,(H,16,17)/t8-/m1/s1
InChIKeyCZJBOVBYHSVURK-MRVPVSSYSA-N
XLogP2.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79015931
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171234964
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 103693096
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171215302
3-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclopropylpropanoic acid
CID 117107864
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171234941
(3S)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171251476
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 170896665
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171234961

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of (3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid (CID 124514915) is (3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for (3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid is N[C@H](CC(=O)O)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of (3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is CZJBOVBYHSVURK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c11-7-2-5(8(15)4-9(16)17)1-6(3-7)10(12,13)14/h1-3,8H,4,15H2,(H,16,17)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid?
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 267.63 g/mol, XLogP of 2.83, 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-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 124514915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).