2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid

C13H14F3NO2 — CID 55148711

IUPAC2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
SMILESO=C(O)C(NC1CCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H14F3NO2/c14-9-5-7(6-10(15)11(9)16)12(13(18)19)17-8-3-1-2-4-8/h5-6,8,12,17H,1-4H2,(H,18,19)
InChIKeyFVYVRDLQFFUNBK-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.76
Rot. Bonds4

About 2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid

2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid (PubChem CID 55148711) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
PubChem CID55148711
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
SMILESO=C(O)C(NC1CCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H14F3NO2/c14-9-5-7(6-10(15)11(9)16)12(13(18)19)17-8-3-1-2-4-8/h5-6,8,12,17H,1-4H2,(H,18,19)
InChIKeyFVYVRDLQFFUNBK-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81437595
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
CID 54893022
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
CID 84746728
ethyl 2-(cyclopropylamino)-2-(3,4,5-trifluorophenyl)acetate
CID 55147934
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
CID 54892642
2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid
CID 114453628
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid?
The IUPAC name of 2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid (CID 55148711) is 2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid.
What is the SMILES notation for 2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid?
The canonical SMILES for 2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid is O=C(O)C(NC1CCCC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid?
The InChIKey is FVYVRDLQFFUNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-9-5-7(6-10(15)11(9)16)12(13(18)19)17-8-3-1-2-4-8/h5-6,8,12,17H,1-4H2,(H,18,19).
What are the key properties of 2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid?
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid has a molecular weight of 273.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid is sourced from PubChem (CID 55148711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).