5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid

C9H14F3NO2 — CID 106215305

IUPAC5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(4-5-8)13-6-2-1-3-7(14)15/h13H,1-6H2,(H,14,15)
InChIKeyHEEGYQMYTXDDKP-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.93
Rot. Bonds6

About 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid

5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid (PubChem CID 106215305) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid
PubChem CID106215305
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(4-5-8)13-6-2-1-3-7(14)15/h13H,1-6H2,(H,14,15)
InChIKeyHEEGYQMYTXDDKP-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
CID 106213963
5-[(1-methylcyclopropyl)amino]pentanoic acid
CID 103263978
5-(trifluoromethylsulfonyloxyamino)pentanoic acid
CID 90071582
5-(methylamino)pentanoic acid
CID 91583432
6-(methylamino)hexanoic acid
CID 4989372
ethane;5-(methylamino)pentanoic acid
CID 178043439
7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid
CID 87955978
3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid
CID 106216421
5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid
CID 106178221
6-(trifluoromethylcarbamoylamino)hexanoic acid
CID 108865862
5-(cyclopentyloxyamino)pentanoic acid
CID 103262101
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid?
The IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid (CID 106215305) is 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid?
The canonical SMILES for 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid is O=C(O)CCCCNC1(C(F)(F)F)CC1.
What is the InChIKey of 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid?
The InChIKey is HEEGYQMYTXDDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)8(4-5-8)13-6-2-1-3-7(14)15/h13H,1-6H2,(H,14,15).
What are the key properties of 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid?
5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid has a molecular weight of 225.21 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid is sourced from PubChem (CID 106215305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).