tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate

C14H21F2N3O4 — CID 156563845

IUPACtert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
SMILESC[C@H](COc1cc(N)cn(C(F)F)c1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21F2N3O4/c1-8(18-13(21)23-14(2,3)4)7-22-10-5-9(17)6-19(11(10)20)12(15)16/h5-6,8,12H,7,17H2,1-4H3,(H,18,21)/t8-/m1/s1
InChIKeyWWVADRRVYOXXEX-MRVPVSSYSA-N
MW333.34 g/mol
LogP2.12
Rot. Bonds5

About tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate (PubChem CID 156563845) has the molecular formula C14H21F2N3O4 and a molecular weight of 333.34 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
PubChem CID156563845
Molecular FormulaC14H21F2N3O4
Molecular Weight333.34 g/mol
Exact Mass333.15
IUPAC Nametert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
SMILESC[C@H](COc1cc(N)cn(C(F)F)c1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21F2N3O4/c1-8(18-13(21)23-14(2,3)4)7-22-10-5-9(17)6-19(11(10)20)12(15)16/h5-6,8,12H,7,17H2,1-4H3,(H,18,21)/t8-/m1/s1
InChIKeyWWVADRRVYOXXEX-MRVPVSSYSA-N
XLogP2.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate (CID 156563845) is tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate is C[C@H](COc1cc(N)cn(C(F)F)c1=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate?
The InChIKey is WWVADRRVYOXXEX-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H21F2N3O4/c1-8(18-13(21)23-14(2,3)4)7-22-10-5-9(17)6-19(11(10)20)12(15)16/h5-6,8,12H,7,17H2,1-4H3,(H,18,21)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate has a molecular weight of 333.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate is sourced from PubChem (CID 156563845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).