methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate

C15H18F3NO2 — CID 60998889

IUPACmethyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)C(NC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO2/c1-21-14(20)13(19-12-7-2-3-8-12)10-5-4-6-11(9-10)15(16,17)18/h4-6,9,12-13,19H,2-3,7-8H2,1H3
InChIKeyWIBVZEQAQCYCGA-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.45
Rot. Bonds4

About methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate

methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 60998889) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID60998889
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Namemethyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)C(NC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO2/c1-21-14(20)13(19-12-7-2-3-8-12)10-5-4-6-11(9-10)15(16,17)18/h4-6,9,12-13,19H,2-3,7-8H2,1H3
InChIKeyWIBVZEQAQCYCGA-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate 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

2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 3-(cyclobutylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 117243206
methyl (2R)-2-(3-cyanophenyl)-2-(cyclohexylamino)acetate
CID 97234614
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
methyl 2-(cycloheptylamino)-2-(3,5-difluorophenyl)acetate
CID 106528954
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243219
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
methyl 2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-[3-(trifluoromethyl)phenyl]acetate
CID 22894860

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate (CID 60998889) is methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate is COC(=O)C(NC1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is WIBVZEQAQCYCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-21-14(20)13(19-12-7-2-3-8-12)10-5-4-6-11(9-10)15(16,17)18/h4-6,9,12-13,19H,2-3,7-8H2,1H3.
What are the key properties of methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate?
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 301.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 60998889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).