3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid

C15H18F3NO2 — CID 117243219

IUPAC3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)C(CNC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-5-3-4-10(8-11)13(14(20)21)9-19-12-6-1-2-7-12/h3-5,8,12-13,19H,1-2,6-7,9H2,(H,20,21)
InChIKeyBFCFNJSIYMUBSA-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.41
Rot. Bonds5

About 3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid

3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 117243219) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID117243219
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)C(CNC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-5-3-4-10(8-11)13(14(20)21)9-19-12-6-1-2-7-12/h3-5,8,12-13,19H,1-2,6-7,9H2,(H,20,21)
InChIKeyBFCFNJSIYMUBSA-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(cyclobutylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 117243206
3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid
CID 117243215
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117246043
1-[3-(methylamino)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119491462
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol
CID 62358371
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71979033
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid (CID 117243219) is 3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid is O=C(O)C(CNC1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is BFCFNJSIYMUBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)11-5-3-4-10(8-11)13(14(20)21)9-19-12-6-1-2-7-12/h3-5,8,12-13,19H,1-2,6-7,9H2,(H,20,21).
What are the key properties of 3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid?
3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 301.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 117243219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).