(1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

C13H21F2N3O — CID 138016520

IUPAC(1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@]12CC[C@H]1CN(C(=O)NCCC1CC(F)(F)C1)C2
InChIInChI=1S/C13H21F2N3O/c14-13(15)5-9(6-13)2-4-17-11(19)18-7-10-1-3-12(10,16)8-18/h9-10H,1-8,16H2,(H,17,19)/t10-,12-/m0/s1
InChIKeyDCUNTLDCNUAEOV-JQWIXIFHSA-N
MW273.33 g/mol
LogP1.55
Rot. Bonds3

About (1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016520) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016520
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name(1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@]12CC[C@H]1CN(C(=O)NCCC1CC(F)(F)C1)C2
InChIInChI=1S/C13H21F2N3O/c14-13(15)5-9(6-13)2-4-17-11(19)18-7-10-1-3-12(10,16)8-18/h9-10H,1-8,16H2,(H,17,19)/t10-,12-/m0/s1
InChIKeyDCUNTLDCNUAEOV-JQWIXIFHSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 138016471
(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-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016529
(1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016557
(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
(1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 154807408
1-(aminomethyl)-N-tert-butyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
CID 165466137
1-(aminomethyl)-N-ethyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
CID 165466138
1-(aminomethyl)-N-(2-methylpropyl)-2-azabicyclo[3.2.0]heptane-2-carboxamide
CID 165740800
1-(aminomethyl)-N-propyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
CID 165848570

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016520) is (1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is N[C@]12CC[C@H]1CN(C(=O)NCCC1CC(F)(F)C1)C2.
What is the InChIKey of (1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is DCUNTLDCNUAEOV-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H21F2N3O/c14-13(15)5-9(6-13)2-4-17-11(19)18-7-10-1-3-12(10,16)8-18/h9-10H,1-8,16H2,(H,17,19)/t10-,12-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 1.55, 3 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-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).