3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid

C10H16F3NO2 — CID 64755063

IUPAC3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid
SMILESO=C(O)CCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-1-3-8(4-2-7)14-6-5-9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyRBTZRTXEGCGCQH-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.17
Rot. Bonds4

About 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid

3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid (PubChem CID 64755063) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid
PubChem CID64755063
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid
SMILESO=C(O)CCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-1-3-8(4-2-7)14-6-5-9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyRBTZRTXEGCGCQH-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid (CID 64755063) is 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid is O=C(O)CCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid?
The InChIKey is RBTZRTXEGCGCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)7-1-3-8(4-2-7)14-6-5-9(15)16/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid?
3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid has a molecular weight of 239.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoic acid is sourced from PubChem (CID 64755063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).