tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate

C15H25N3O3 — CID 170565878

IUPACtert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C23CC(CC(=O)NN)(C2)C3)C1
InChIInChI=1S/C15H25N3O3/c1-13(2,3)21-12(20)18-5-10(6-18)15-7-14(8-15,9-15)4-11(19)17-16/h10H,4-9,16H2,1-3H3,(H,17,19)
InChIKeyRGBVDELEOIEEQN-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.40
Rot. Bonds3

About tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate

tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate (PubChem CID 170565878) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate
PubChem CID170565878
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C23CC(CC(=O)NN)(C2)C3)C1
InChIInChI=1S/C15H25N3O3/c1-13(2,3)21-12(20)18-5-10(6-18)15-7-14(8-15,9-15)4-11(19)17-16/h10H,4-9,16H2,1-3H3,(H,17,19)
InChIKeyRGBVDELEOIEEQN-UHFFFAOYSA-N
XLogP1.40
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[(2-hydrazinyl-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]azetidine-1-carboxylate
CID 86701026
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl 3-[(3-amino-1-bicyclo[1.1.1]pentanyl)methyl]azetidine-1-carboxylate
CID 165466796
tert-butyl 8-hydroxy-8-methyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 162493694
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
1-O-tert-butyl 3-O,4-O-diethyl (3S)-pyrrolidine-1,3,4-tricarboxylate
CID 91654881
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate
CID 153328230
tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate
CID 102672640
tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate
CID 103965667

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate (CID 170565878) is tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C23CC(CC(=O)NN)(C2)C3)C1.
What is the InChIKey of tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate?
The InChIKey is RGBVDELEOIEEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-13(2,3)21-12(20)18-5-10(6-18)15-7-14(8-15,9-15)4-11(19)17-16/h10H,4-9,16H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate?
tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(2-hydrazinyl-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]azetidine-1-carboxylate is sourced from PubChem (CID 170565878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).