3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride

C9H16ClF3N2O2 — CID 119744739

IUPAC3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2.ClH/c10-9(11,12)7(15)4-14-8(16)5-1-2-6(13)3-5;/h5-7,15H,1-4,13H2,(H,14,16);1H
InChIKeyFTCAUZDWYZYBNW-UHFFFAOYSA-N
MW276.69 g/mol
LogP0.57
Rot. Bonds3

About 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119744739) has the molecular formula C9H16ClF3N2O2 and a molecular weight of 276.69 g/mol. Its IUPAC name is 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119744739
Molecular FormulaC9H16ClF3N2O2
Molecular Weight276.69 g/mol
Exact Mass276.09
IUPAC Name3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2.ClH/c10-9(11,12)7(15)4-14-8(16)5-1-2-6(13)3-5;/h5-7,15H,1-4,13H2,(H,14,16);1H
InChIKeyFTCAUZDWYZYBNW-UHFFFAOYSA-N
XLogP0.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxamide
CID 103795776
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide
CID 103723234
3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 130551930
3-amino-N-(2-hydroxy-3-methylpentyl)cyclopentane-1-carboxamide
CID 119784024
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
3-amino-N-(2-methoxypropyl)cyclopentane-1-carboxamide
CID 102695070
4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 136585263
ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 119789233
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119700658
3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119806615
3-amino-N-[2-(2-chlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 154759854

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride (CID 119744739) is 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NCC(O)C(F)(F)F)C1.
What is the InChIKey of 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FTCAUZDWYZYBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2.ClH/c10-9(11,12)7(15)4-14-8(16)5-1-2-6(13)3-5;/h5-7,15H,1-4,13H2,(H,14,16);1H.
What are the key properties of 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 276.69 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119744739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).