(5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid

C11H12F3NO2 — CID 28931216

IUPAC(5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid
SMILESN[C@H](CCCC(=O)O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H12F3NO2/c12-6-4-7(13)11(8(14)5-6)9(15)2-1-3-10(16)17/h4-5,9H,1-3,15H2,(H,16,17)/t9-/m1/s1
InChIKeyWTFJBZMDVWUREC-SECBINFHSA-N
MW247.22 g/mol
LogP2.36
Rot. Bonds5

About (5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid

(5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid (PubChem CID 28931216) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is (5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid.

Molecular Properties

Compound Name(5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid
PubChem CID28931216
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name(5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid
SMILESN[C@H](CCCC(=O)O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H12F3NO2/c12-6-4-7(13)11(8(14)5-6)9(15)2-1-3-10(16)17/h4-5,9H,1-3,15H2,(H,16,17)/t9-/m1/s1
InChIKeyWTFJBZMDVWUREC-SECBINFHSA-N
XLogP2.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
CID 28931114
(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
CID 171204878
(1S)-1-(2,4,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171224460
5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
CID 79736889
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
5-amino-5-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394885
4-amino-4-(2,3,6-trifluorophenyl)butanoic acid
CID 117337374
5-amino-5-(2-chloro-5-fluoro-4-methylphenyl)pentanoic acid
CID 116937894
5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid
CID 43561605
5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 43117843
3-amino-3-(4-bromo-2,6-difluorophenyl)propanoic acid
CID 117449260
(5R)-5-amino-5-phosphanylpentanoic acid
CID 174654191

Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid?
The IUPAC name of (5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid (CID 28931216) is (5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid.
What is the SMILES notation for (5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid?
The canonical SMILES for (5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid is N[C@H](CCCC(=O)O)c1c(F)cc(F)cc1F.
What is the InChIKey of (5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid?
The InChIKey is WTFJBZMDVWUREC-SECBINFHSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-6-4-7(13)11(8(14)5-6)9(15)2-1-3-10(16)17/h4-5,9H,1-3,15H2,(H,16,17)/t9-/m1/s1.
What are the key properties of (5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid?
(5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid has a molecular weight of 247.22 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-5-(2,4,6-trifluorophenyl)pentanoic acid is sourced from PubChem (CID 28931216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).