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

C12H20F3NO2 — CID 65057250

IUPAC2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-8(2)16(7-11(17)18)10-5-3-9(4-6-10)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyFBQXFUDRFMZESD-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.90
Rot. Bonds4

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

2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid (PubChem CID 65057250) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
PubChem CID65057250
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-8(2)16(7-11(17)18)10-5-3-9(4-6-10)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyFBQXFUDRFMZESD-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid (CID 65057250) is 2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid is CC(C)N(CC(=O)O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The InChIKey is FBQXFUDRFMZESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-8(2)16(7-11(17)18)10-5-3-9(4-6-10)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid?
2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid has a molecular weight of 267.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid is sourced from PubChem (CID 65057250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).