N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid

C13H19F3N2O3 — CID 155850429

IUPACN-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCC1)C1CC12CCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C11H18N2O.C2HF3O2/c14-10(13-8-2-1-3-8)9-6-11(9)4-5-12-7-11;3-2(4,5)1(6)7/h8-9,12H,1-7H2,(H,13,14);(H,6,7)
InChIKeyDLONREZQXCNPQV-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.29
Rot. Bonds2

About N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid

N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155850429) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155850429
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC NameN-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCC1)C1CC12CCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C11H18N2O.C2HF3O2/c14-10(13-8-2-1-3-8)9-6-11(9)4-5-12-7-11;3-2(4,5)1(6)7/h8-9,12H,1-7H2,(H,13,14);(H,6,7)
InChIKeyDLONREZQXCNPQV-UHFFFAOYSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic 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

4-(1-Aminocyclopropyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 19000558
1,2-Diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 137362400
4-Ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155226429
(1S,5R)-N-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 175855139
N-cyclobutyl-5-(1-fluorocyclopropanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682898
N-cyclobutyl-5-(3,3-difluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682903
N-cyclobutyl-5-(1-fluorocyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683537
5-Azaspiro[2.4]heptan-2-yl(pyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155836379
N-(azetidin-3-yl)-5-azaspiro[2.4]heptane-1-carboxamide; bis(trifluoroacetic acid)
CID 165656203
2,8-Diazadispiro[3.1.4(6).1(4)]undecan-9-one trifluoroacetic acid
CID 172915591
[(1S,3R)-2,2-dimethyl-3-(pyrrolidine-1-carbonyl)cyclobutyl]carbamic acid
CID 117853380
[(1R,3S)-2,2-dimethyl-3-(pyrrolidine-1-carbonyl)cyclobutyl]carbamic acid
CID 117853434

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155850429) is N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CCC1)C1CC12CCNC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DLONREZQXCNPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2HF3O2/c14-10(13-8-2-1-3-8)9-6-11(9)4-5-12-7-11;3-2(4,5)1(6)7/h8-9,12H,1-7H2,(H,13,14);(H,6,7).
What are the key properties of N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 308.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).