3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione

C12H18N2O4 — CID 163695430

IUPAC3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
SMILESCOC[C@H]1O[C@@H](C2C=C(C)C(=O)NC2=O)CC1N
InChIInChI=1S/C12H18N2O4/c1-6-3-7(12(16)14-11(6)15)9-4-8(13)10(18-9)5-17-2/h3,7-10H,4-5,13H2,1-2H3,(H,14,15,16)/t7?,8?,9-,10-/m1/s1
InChIKeyJWOADFRCSGYNGE-YDYPAMBWSA-N
MW254.29 g/mol
LogP-0.66
Rot. Bonds3

About 3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione

3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione (PubChem CID 163695430) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
PubChem CID163695430
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
SMILESCOC[C@H]1O[C@@H](C2C=C(C)C(=O)NC2=O)CC1N
InChIInChI=1S/C12H18N2O4/c1-6-3-7(12(16)14-11(6)15)9-4-8(13)10(18-9)5-17-2/h3,7-10H,4-5,13H2,1-2H3,(H,14,15,16)/t7?,8?,9-,10-/m1/s1
InChIKeyJWOADFRCSGYNGE-YDYPAMBWSA-N
XLogP-0.66
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione?
The IUPAC name of 3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione (CID 163695430) is 3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione?
The canonical SMILES for 3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione is COC[C@H]1O[C@@H](C2C=C(C)C(=O)NC2=O)CC1N.
What is the InChIKey of 3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione?
The InChIKey is JWOADFRCSGYNGE-YDYPAMBWSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-6-3-7(12(16)14-11(6)15)9-4-8(13)10(18-9)5-17-2/h3,7-10H,4-5,13H2,1-2H3,(H,14,15,16)/t7?,8?,9-,10-/m1/s1.
What are the key properties of 3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione?
3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione has a molecular weight of 254.29 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5S)-4-amino-5-(methoxymethyl)oxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 163695430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).