tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate

C15H29N3O2 — CID 107093178

IUPACtert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(CC2CCC2)NN)C1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-8-7-12(10-18)13(17-16)9-11-5-4-6-11/h11-13,17H,4-10,16H2,1-3H3
InChIKeyAMUKPBCDVNLCCU-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.27
Rot. Bonds4

About tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate

tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate (PubChem CID 107093178) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate
PubChem CID107093178
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(CC2CCC2)NN)C1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-8-7-12(10-18)13(17-16)9-11-5-4-6-11/h11-13,17H,4-10,16H2,1-3H3
InChIKeyAMUKPBCDVNLCCU-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[2-cyclopentyl-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092330
tert-butyl 3-(1-hydrazinyl-4-methoxybutyl)pyrrolidine-1-carboxylate
CID 107093261
tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate
CID 107093119
tert-butyl 3-[4,4-dimethyl-1-(methylamino)pentyl]pyrrolidine-1-carboxylate
CID 107092341
tert-butyl 3-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxylate
CID 107093202
tert-butyl 3-[1-(methylamino)but-3-enyl]pyrrolidine-1-carboxylate
CID 107092236
3-[(2-methylpropan-2-yl)oxy]-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]-3-oxopropanoic acid
CID 175245735
tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate
CID 107093198
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213
tert-butyl 3-[1-(ethylamino)pent-4-enyl]pyrrolidine-1-carboxylate
CID 107092460

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate (CID 107093178) is tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(CC2CCC2)NN)C1.
What is the InChIKey of tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate?
The InChIKey is AMUKPBCDVNLCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-8-7-12(10-18)13(17-16)9-11-5-4-6-11/h11-13,17H,4-10,16H2,1-3H3.
What are the key properties of tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107093178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).