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

C15H18F3NO2 — CID 61002717

IUPAC2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(NC1CCCC1)(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-14(13(20)21,19-10-6-2-3-7-10)11-8-4-5-9-12(11)15(16,17)18/h4-5,8-10,19H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyVDDVJBSIJUIGGK-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.54
Rot. Bonds4

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

2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 61002717) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
PubChem CID61002717
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(NC1CCCC1)(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-14(13(20)21,19-10-6-2-3-7-10)11-8-4-5-9-12(11)15(16,17)18/h4-5,8-10,19H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyVDDVJBSIJUIGGK-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
CID 115001938
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60997722
2-(cyclopentylamino)-2-(2,5-dichlorophenyl)propanoic acid
CID 61002117
2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid
CID 82773455
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648
methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
CID 60997593
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanoic acid
CID 107707552
2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 60997541
2-(cycloheptylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60997964
N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108966127

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid (CID 61002717) is 2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid is CC(NC1CCCC1)(C(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is VDDVJBSIJUIGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-14(13(20)21,19-10-6-2-3-7-10)11-8-4-5-9-12(11)15(16,17)18/h4-5,8-10,19H,2-3,6-7H2,1H3,(H,20,21).
What are the key properties of 2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid?
2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 301.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-[2-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 61002717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).