[(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride

C8H14ClN3O2 — CID 135391285

IUPAC[(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride
SMILESCOC(=O)[C@H]([NH3+])Cc1cn(C)cn1.[Cl-]
InChIInChI=1S/C8H13N3O2.ClH/c1-11-4-6(10-5-11)3-7(9)8(12)13-2;/h4-5,7H,3,9H2,1-2H3;1H/t7-;/m1./s1
InChIKeyQLLXZYBGSICACM-OGFXRTJISA-N
MW219.67 g/mol
LogP-4.25
Rot. Bonds3

About [(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride

[(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride (PubChem CID 135391285) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is [(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride
PubChem CID135391285
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Name[(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride
SMILESCOC(=O)[C@H]([NH3+])Cc1cn(C)cn1.[Cl-]
InChIInChI=1S/C8H13N3O2.ClH/c1-11-4-6(10-5-11)3-7(9)8(12)13-2;/h4-5,7H,3,9H2,1-2H3;1H/t7-;/m1./s1
InChIKeyQLLXZYBGSICACM-OGFXRTJISA-N
XLogP-4.25
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 5-4.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride?
The IUPAC name of [(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride (CID 135391285) is [(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride.
What is the SMILES notation for [(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride?
The canonical SMILES for [(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride is COC(=O)[C@H]([NH3+])Cc1cn(C)cn1.[Cl-].
What is the InChIKey of [(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride?
The InChIKey is QLLXZYBGSICACM-OGFXRTJISA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-11-4-6(10-5-11)3-7(9)8(12)13-2;/h4-5,7H,3,9H2,1-2H3;1H/t7-;/m1./s1.
What are the key properties of [(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride?
[(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride has a molecular weight of 219.67 g/mol, XLogP of -4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methoxy-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]azanium chloride is sourced from PubChem (CID 135391285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).