tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate

C15H21F2N3O4 — CID 156563484

IUPACtert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](Oc2cc(OC(F)F)cc(N)n2)C1
InChIInChI=1S/C15H21F2N3O4/c1-15(2,3)24-14(21)20-5-4-9(8-20)22-12-7-10(23-13(16)17)6-11(18)19-12/h6-7,9,13H,4-5,8H2,1-3H3,(H2,18,19)/t9-/m0/s1
InChIKeyUQGLIWSNUVRJPI-VIFPVBQESA-N
MW345.35 g/mol
LogP2.65
Rot. Bonds4

About tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate (PubChem CID 156563484) has the molecular formula C15H21F2N3O4 and a molecular weight of 345.35 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
PubChem CID156563484
Molecular FormulaC15H21F2N3O4
Molecular Weight345.35 g/mol
Exact Mass345.15
IUPAC Nametert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](Oc2cc(OC(F)F)cc(N)n2)C1
InChIInChI=1S/C15H21F2N3O4/c1-15(2,3)24-14(21)20-5-4-9(8-20)22-12-7-10(23-13(16)17)6-11(18)19-12/h6-7,9,13H,4-5,8H2,1-3H3,(H2,18,19)/t9-/m0/s1
InChIKeyUQGLIWSNUVRJPI-VIFPVBQESA-N
XLogP2.65
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 170725757
tert-butyl (3R)-3-[[4-(difluoromethoxy)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 144697957
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
tert-butyl 3-(3-amino-5-chlorophenoxy)pyrrolidine-1-carboxylate
CID 164584435
tert-butyl (3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 153376600
tert-butyl (3S)-3-(6-ethoxy-2-methylsulfanylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 66569866
tert-butyl (3R)-3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 171624756
tert-butyl 3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 166611410
tert-butyl (3R)-3-[2,6-diamino-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 59293613
tert-butyl (3S)-3-[2-amino-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 126674607
tert-butyl 3-[4-amino-3-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 166611413
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate (CID 156563484) is tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(OC(F)F)cc(N)n2)C1.
What is the InChIKey of tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
The InChIKey is UQGLIWSNUVRJPI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H21F2N3O4/c1-15(2,3)24-14(21)20-5-4-9(8-20)22-12-7-10(23-13(16)17)6-11(18)19-12/h6-7,9,13H,4-5,8H2,1-3H3,(H2,18,19)/t9-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate has a molecular weight of 345.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 156563484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).