(1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

C14H22F3N3O — CID 138016557

IUPAC(1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@]12CC[C@H]1CN(C(=O)NCC1(C(F)(F)F)CCCC1)C2
InChIInChI=1S/C14H22F3N3O/c15-14(16,17)12(4-1-2-5-12)8-19-11(21)20-7-10-3-6-13(10,18)9-20/h10H,1-9,18H2,(H,19,21)/t10-,13-/m0/s1
InChIKeyPKNWQDUCRHAOHS-GWCFXTLKSA-N
MW305.34 g/mol
LogP2.24
Rot. Bonds2

About (1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016557) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016557
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name(1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@]12CC[C@H]1CN(C(=O)NCC1(C(F)(F)F)CCCC1)C2
InChIInChI=1S/C14H22F3N3O/c15-14(16,17)12(4-1-2-5-12)8-19-11(21)20-7-10-3-6-13(10,18)9-20/h10H,1-9,18H2,(H,19,21)/t10-,13-/m0/s1
InChIKeyPKNWQDUCRHAOHS-GWCFXTLKSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044447
(3R)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124864632
(3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124864633
8-amino-N-(3-amino-2,2-difluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 137936369
8-amino-N-(2,2,2-trifluoroethyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 137936435
8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 138016428
(1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016472
(1R,5S)-1-amino-N-[(4,4-difluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016483
(1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016520
(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016529
(1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016562
(1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016565

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016557) is (1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is N[C@]12CC[C@H]1CN(C(=O)NCC1(C(F)(F)F)CCCC1)C2.
What is the InChIKey of (1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is PKNWQDUCRHAOHS-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H22F3N3O/c15-14(16,17)12(4-1-2-5-12)8-19-11(21)20-7-10-3-6-13(10,18)9-20/h10H,1-9,18H2,(H,19,21)/t10-,13-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).