4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid

C12H14F3NO2 — CID 66099186

IUPAC4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
SMILESCC(N)C(CC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-7(16)10(6-11(17)18)8-3-2-4-9(5-8)12(13,14)15/h2-5,7,10H,6,16H2,1H3,(H,17,18)
InChIKeyFVCOCXLIIIAXPD-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.61
Rot. Bonds4

About 4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid

4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid (PubChem CID 66099186) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
PubChem CID66099186
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
SMILESCC(N)C(CC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-7(16)10(6-11(17)18)8-3-2-4-9(5-8)12(13,14)15/h2-5,7,10H,6,16H2,1H3,(H,17,18)
InChIKeyFVCOCXLIIIAXPD-UHFFFAOYSA-N
XLogP2.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-[3-(difluoromethyl)phenyl]pentanoic acid
CID 115529886
4-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]pentanoic acid
CID 113292119
3-[3-[3-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221372
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
3-(diethylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 64527201
4-amino-3-(3,4-difluorophenyl)pentanoic acid
CID 66097703
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
ethyl 2-bromo-2-[3-(trifluoromethyl)phenyl]acetate
CID 12717579
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752
methyl 4-amino-3-[3-(trifluoromethyl)phenyl]hexanoate
CID 66096264
methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate
CID 29059445
(2R)-2-[[(3S)-3-[3-(trifluoromethyl)phenyl]butanoyl]amino]propanoic acid
CID 129415123

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid?
The IUPAC name of 4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid (CID 66099186) is 4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid.
What is the SMILES notation for 4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid?
The canonical SMILES for 4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid is CC(N)C(CC(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid?
The InChIKey is FVCOCXLIIIAXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7(16)10(6-11(17)18)8-3-2-4-9(5-8)12(13,14)15/h2-5,7,10H,6,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid?
4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid has a molecular weight of 261.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid is sourced from PubChem (CID 66099186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).