tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate

C11H21FN2O3 — CID 115046306

IUPACtert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(F)CON)C1
InChIInChI=1S/C11H21FN2O3/c1-11(2,3)17-10(15)14-5-4-8(6-14)9(12)7-16-13/h8-9H,4-7,13H2,1-3H3
InChIKeyILDZCJPMGFMNOV-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.47
Rot. Bonds3

About tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate

tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate (PubChem CID 115046306) has the molecular formula C11H21FN2O3 and a molecular weight of 248.30 g/mol. Its IUPAC name is tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate
PubChem CID115046306
Molecular FormulaC11H21FN2O3
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Nametert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(F)CON)C1
InChIInChI=1S/C11H21FN2O3/c1-11(2,3)17-10(15)14-5-4-8(6-14)9(12)7-16-13/h8-9H,4-7,13H2,1-3H3
InChIKeyILDZCJPMGFMNOV-UHFFFAOYSA-N
XLogP1.47
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate
CID 146486000
tert-butyl 3-(4-amino-1-fluorobutan-2-yl)pyrrolidine-1-carboxylate
CID 115048626
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-(1-amino-2,2,2-trifluoroethyl)pyrrolidine-1-carboxylate
CID 82379516
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate
CID 107092558
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl (3S)-3-[(2S)-1-amino-1-oxobutan-2-yl]pyrrolidine-1-carboxylate
CID 166105503
(2S)-2-amino-2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 93087503
tert-butyl (3S)-3-[(1R)-1-hydroxy-2-propan-2-yloxyethyl]pyrrolidine-1-carboxylate
CID 66859524
tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate
CID 105491312
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate (CID 115046306) is tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(F)CON)C1.
What is the InChIKey of tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate?
The InChIKey is ILDZCJPMGFMNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O3/c1-11(2,3)17-10(15)14-5-4-8(6-14)9(12)7-16-13/h8-9H,4-7,13H2,1-3H3.
What are the key properties of tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate has a molecular weight of 248.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-aminooxy-1-fluoroethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 115046306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).