4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide

C13H18N2O4 — CID 123686862

IUPAC4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCC1(C)OC[C@@H](COc2ccc(C(N)=NO)cc2)O1
InChIInChI=1S/C13H18N2O4/c1-13(2)18-8-11(19-13)7-17-10-5-3-9(4-6-10)12(14)15-16/h3-6,11,16H,7-8H2,1-2H3,(H2,14,15)/t11-/m1/s1
InChIKeyARQOEANQFOABPZ-LLVKDONJSA-N
MW266.30 g/mol
LogP1.31
Rot. Bonds4

About 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide

4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 123686862) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID123686862
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCC1(C)OC[C@@H](COc2ccc(C(N)=NO)cc2)O1
InChIInChI=1S/C13H18N2O4/c1-13(2)18-8-11(19-13)7-17-10-5-3-9(4-6-10)12(14)15-16/h3-6,11,16H,7-8H2,1-2H3,(H2,14,15)/t11-/m1/s1
InChIKeyARQOEANQFOABPZ-LLVKDONJSA-N
XLogP1.31
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide (CID 123686862) is 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide is CC1(C)OC[C@@H](COc2ccc(C(N)=NO)cc2)O1.
What is the InChIKey of 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ARQOEANQFOABPZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2)18-8-11(19-13)7-17-10-5-3-9(4-6-10)12(14)15-16/h3-6,11,16H,7-8H2,1-2H3,(H2,14,15)/t11-/m1/s1.
What are the key properties of 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide?
4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 266.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 123686862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).