tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate

C15H29N3O3 — CID 107139935

IUPACtert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(NN)C2CCCOC2)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-7-6-11(9-18)13(17-16)12-5-4-8-20-10-12/h11-13,17H,4-10,16H2,1-3H3
InChIKeyCEMCWFHCEFPOHH-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.50
Rot. Bonds3

About tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 107139935) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID107139935
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(NN)C2CCCOC2)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-7-6-11(9-18)13(17-16)12-5-4-8-20-10-12/h11-13,17H,4-10,16H2,1-3H3
InChIKeyCEMCWFHCEFPOHH-UHFFFAOYSA-N
XLogP1.50
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[oxan-3-yl(propylamino)methyl]pyrrolidine-1-carboxylate
CID 107138754
tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate
CID 107093178
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 115677343
tert-butyl 3-[(S)-cyclohexyl(hydroxy)methyl]pyrrolidine-1-carboxylate
CID 66892173
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213
tert-butyl 3-[2-cyclopentyl-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092330
(2S)-2-amino-2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 93087503
tert-butyl 3-(4-amino-1-fluorobutan-2-yl)pyrrolidine-1-carboxylate
CID 115048626
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate
CID 71479909
tert-butyl 3-[1-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783530
tert-butyl 3-(1-hydrazinyl-4-methoxybutyl)pyrrolidine-1-carboxylate
CID 107093261

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate (CID 107139935) is tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(NN)C2CCCOC2)C1.
What is the InChIKey of tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is CEMCWFHCEFPOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-7-6-11(9-18)13(17-16)12-5-4-8-20-10-12/h11-13,17H,4-10,16H2,1-3H3.
What are the key properties of tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[hydrazinyl(oxan-3-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107139935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).