[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate

C19H27FN2O6 — CID 140638942

IUPAC[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
SMILESCC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)cc2=O)C(C)(F)[C@H]1OC(=O)C(C)C
InChIInChI=1S/C19H27FN2O6/c1-10(2)16(24)26-9-13-15(28-17(25)11(3)4)19(5,20)18(27-13)22-7-6-12(21)8-14(22)23/h6-8,10-11,13,15,18H,9,21H2,1-5H3/t13-,15+,18-,19?/m1/s1
InChIKeyHDIAXPHVASPNRF-ZYAWOMBLSA-N
MW398.43 g/mol
LogP1.82
Rot. Bonds6

About [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate

[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate (PubChem CID 140638942) has the molecular formula C19H27FN2O6 and a molecular weight of 398.43 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
PubChem CID140638942
Molecular FormulaC19H27FN2O6
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
SMILESCC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)cc2=O)C(C)(F)[C@H]1OC(=O)C(C)C
InChIInChI=1S/C19H27FN2O6/c1-10(2)16(24)26-9-13-15(28-17(25)11(3)4)19(5,20)18(27-13)22-7-6-12(21)8-14(22)23/h6-8,10-11,13,15,18H,9,21H2,1-5H3/t13-,15+,18-,19?/m1/s1
InChIKeyHDIAXPHVASPNRF-ZYAWOMBLSA-N
XLogP1.82
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate?
The IUPAC name of [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate (CID 140638942) is [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate.
What is the SMILES notation for [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate?
The canonical SMILES for [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate is CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)cc2=O)C(C)(F)[C@H]1OC(=O)C(C)C.
What is the InChIKey of [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate?
The InChIKey is HDIAXPHVASPNRF-ZYAWOMBLSA-N. The full InChI is InChI=1S/C19H27FN2O6/c1-10(2)16(24)26-9-13-15(28-17(25)11(3)4)19(5,20)18(27-13)22-7-6-12(21)8-14(22)23/h6-8,10-11,13,15,18H,9,21H2,1-5H3/t13-,15+,18-,19?/m1/s1.
What are the key properties of [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate?
[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate has a molecular weight of 398.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridinyl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 140638942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).