2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid

C10H16F3NO2 — CID 64754675

IUPAC2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid
SMILESCC(NC1CCC(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H16F3NO2/c1-6(9(15)16)14-8-4-2-7(3-5-8)10(11,12)13/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeyIFKCQJVKZSQYSK-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.17
Rot. Bonds3

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

2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid (PubChem CID 64754675) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid
PubChem CID64754675
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid
SMILESCC(NC1CCC(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H16F3NO2/c1-6(9(15)16)14-8-4-2-7(3-5-8)10(11,12)13/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeyIFKCQJVKZSQYSK-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid?
The IUPAC name of 2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid (CID 64754675) is 2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid is CC(NC1CCC(C(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid?
The InChIKey is IFKCQJVKZSQYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-6(9(15)16)14-8-4-2-7(3-5-8)10(11,12)13/h6-8,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid?
2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid has a molecular weight of 239.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid is sourced from PubChem (CID 64754675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).