4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid

C12H14F3NO3 — CID 62961689

IUPAC4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid
SMILESNC(CCC(=O)O)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)19-10-4-2-1-3-8(10)7-9(16)5-6-11(17)18/h1-4,9H,5-7,16H2,(H,17,18)
InChIKeyDULYVBDYXOALMJ-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.32
Rot. Bonds6

About 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid

4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid (PubChem CID 62961689) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid
PubChem CID62961689
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid
SMILESNC(CCC(=O)O)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)19-10-4-2-1-3-8(10)7-9(16)5-6-11(17)18/h1-4,9H,5-7,16H2,(H,17,18)
InChIKeyDULYVBDYXOALMJ-UHFFFAOYSA-N
XLogP2.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 62962954
2-cyano-3-[2-(trifluoromethoxy)phenyl]propanoic acid
CID 53487600
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
4-amino-5-(1H-indol-3-yl)pentanoic acid
CID 53414125
3-[methyl-[3-[2-(trifluoromethoxy)phenyl]propanoyl]amino]propanoic acid
CID 119233204
(4S)-4-amino-5-(2,4-dimethoxyphenyl)pentanoic acid
CID 27282138
4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 90920038
N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119529048
3-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propanoic acid
CID 134621107
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
methyl 2-amino-4-methyl-6-[2-(trifluoromethoxy)phenyl]hexanoate
CID 174497804
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid?
The IUPAC name of 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid (CID 62961689) is 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid?
The canonical SMILES for 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid is NC(CCC(=O)O)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid?
The InChIKey is DULYVBDYXOALMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c13-12(14,15)19-10-4-2-1-3-8(10)7-9(16)5-6-11(17)18/h1-4,9H,5-7,16H2,(H,17,18).
What are the key properties of 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid?
4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid has a molecular weight of 277.24 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 62961689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).