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

C14H16F3NO2 — CID 60997313

IUPAC2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(NC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)10-5-3-4-9(8-10)12(13(19)20)18-11-6-1-2-7-11/h3-5,8,11-12,18H,1-2,6-7H2,(H,19,20)
InChIKeyISGGVXPUVBTSGE-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.36
Rot. Bonds4

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

2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 60997313) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID60997313
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(NC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)10-5-3-4-9(8-10)12(13(19)20)18-11-6-1-2-7-11/h3-5,8,11-12,18H,1-2,6-7H2,(H,19,20)
InChIKeyISGGVXPUVBTSGE-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889
3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243219
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375
2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81437595
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148711
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 24903486
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 22309176
2-(cyclohexylamino)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60998512
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 60997313) is 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid is O=C(O)C(NC1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is ISGGVXPUVBTSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)10-5-3-4-9(8-10)12(13(19)20)18-11-6-1-2-7-11/h3-5,8,11-12,18H,1-2,6-7H2,(H,19,20).
What are the key properties of 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 60997313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).