3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one

C12H18N2O3 — CID 170109969

IUPAC3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one
SMILESCO[C@@H]1CCOCC1n1cc(C)cc(N)c1=O
InChIInChI=1S/C12H18N2O3/c1-8-5-9(13)12(15)14(6-8)10-7-17-4-3-11(10)16-2/h5-6,10-11H,3-4,7,13H2,1-2H3/t10?,11-/m1/s1
InChIKeySHOUZZWFIHDYSY-RRKGBCIJSA-N
MW238.29 g/mol
LogP0.72
Rot. Bonds2

About 3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one

3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one (PubChem CID 170109969) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one
PubChem CID170109969
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one
SMILESCO[C@@H]1CCOCC1n1cc(C)cc(N)c1=O
InChIInChI=1S/C12H18N2O3/c1-8-5-9(13)12(15)14(6-8)10-7-17-4-3-11(10)16-2/h5-6,10-11H,3-4,7,13H2,1-2H3/t10?,11-/m1/s1
InChIKeySHOUZZWFIHDYSY-RRKGBCIJSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one?
The IUPAC name of 3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one (CID 170109969) is 3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one.
What is the SMILES notation for 3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one?
The canonical SMILES for 3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one is CO[C@@H]1CCOCC1n1cc(C)cc(N)c1=O.
What is the InChIKey of 3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one?
The InChIKey is SHOUZZWFIHDYSY-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-5-9(13)12(15)14(6-8)10-7-17-4-3-11(10)16-2/h5-6,10-11H,3-4,7,13H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of 3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one?
3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one is sourced from PubChem (CID 170109969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).