2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid

C14H22F3NO2 — CID 65058705

IUPAC2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESO=C(O)CN(C1CCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)10-5-7-12(8-6-10)18(9-13(19)20)11-3-1-2-4-11/h10-12H,1-9H2,(H,19,20)
InChIKeyISZHKRVBZVXWNV-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.44
Rot. Bonds4

About 2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid

2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid (PubChem CID 65058705) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
PubChem CID65058705
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESO=C(O)CN(C1CCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)10-5-7-12(8-6-10)18(9-13(19)20)11-3-1-2-4-11/h10-12H,1-9H2,(H,19,20)
InChIKeyISZHKRVBZVXWNV-UHFFFAOYSA-N
XLogP3.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid (CID 65058705) is 2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid is O=C(O)CN(C1CCCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The InChIKey is ISZHKRVBZVXWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)10-5-7-12(8-6-10)18(9-13(19)20)11-3-1-2-4-11/h10-12H,1-9H2,(H,19,20).
What are the key properties of 2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid has a molecular weight of 293.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid is sourced from PubChem (CID 65058705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).