N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

C13H21ClF3N3O2 — CID 119567838

IUPACN-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)CCCC1
InChIInChI=1S/C13H20F3N3O2.ClH/c14-13(15,16)8-19-6-9(5-10(19)20)11(21)18-12(7-17)3-1-2-4-12;/h9H,1-8,17H2,(H,18,21);1H
InChIKeyXTSDBQYBVIEBSL-UHFFFAOYSA-N
MW343.78 g/mol
LogP1.21
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119567838) has the molecular formula C13H21ClF3N3O2 and a molecular weight of 343.78 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119567838
Molecular FormulaC13H21ClF3N3O2
Molecular Weight343.78 g/mol
Exact Mass343.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)CCCC1
InChIInChI=1S/C13H20F3N3O2.ClH/c14-13(15,16)8-19-6-9(5-10(19)20)11(21)18-12(7-17)3-1-2-4-12;/h9H,1-8,17H2,(H,18,21);1H
InChIKeyXTSDBQYBVIEBSL-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119567838) is N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.NCC1(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XTSDBQYBVIEBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2.ClH/c14-13(15,16)8-19-6-9(5-10(19)20)11(21)18-12(7-17)3-1-2-4-12;/h9H,1-8,17H2,(H,18,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 343.78 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119567838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).