tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate

C16H26N4O2 — CID 107093198

IUPACtert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(Cc2ccccn2)NN)C1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)20-9-7-12(11-20)14(19-17)10-13-6-4-5-8-18-13/h4-6,8,12,14,19H,7,9-11,17H2,1-3H3
InChIKeyICQULWBTPIVWEK-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.71
Rot. Bonds4

About tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate

tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate (PubChem CID 107093198) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate
PubChem CID107093198
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(Cc2ccccn2)NN)C1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)20-9-7-12(11-20)14(19-17)10-13-6-4-5-8-18-13/h4-6,8,12,14,19H,7,9-11,17H2,1-3H3
InChIKeyICQULWBTPIVWEK-UHFFFAOYSA-N
XLogP1.71
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.71
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-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxylate
CID 107093202
tert-butyl 3-(2-cyclobutyl-1-hydrazinylethyl)pyrrolidine-1-carboxylate
CID 107093178
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647426
tert-butyl 3-[1-(methylamino)-2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092582
tert-butyl 3-(1-hydrazinyl-4-methoxybutyl)pyrrolidine-1-carboxylate
CID 107093261
tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
CID 46941819
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130
tert-butyl 4-[N'-(pyridin-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111023278
tert-butyl 3-[[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 110968078
tert-butyl 3-(1-hydrazinyl-4-methylsulfonylbutyl)pyrrolidine-1-carboxylate
CID 107093119
tert-butyl (3S)-3-(pyridin-2-ylmethylsulfonylmethyl)piperidine-1-carboxylate
CID 97172528
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(pyridin-2-ylmethyl)piperazine-2-carboxylic acid
CID 97173976

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate (CID 107093198) is tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(Cc2ccccn2)NN)C1.
What is the InChIKey of tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate?
The InChIKey is ICQULWBTPIVWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)20-9-7-12(11-20)14(19-17)10-13-6-4-5-8-18-13/h4-6,8,12,14,19H,7,9-11,17H2,1-3H3.
What are the key properties of tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-hydrazinyl-2-pyridin-2-ylethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107093198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).