5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide

C14H25N3O7 — CID 50990444

IUPAC5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide
SMILESCN(O)C1(/C(N)=N/O)C(C2COC(C)(C)O2)OC2OC(C)(C)OC21
InChIInChI=1S/C14H25N3O7/c1-12(2)20-6-7(22-12)8-14(17(5)19,11(15)16-18)9-10(21-8)24-13(3,4)23-9/h7-10,18-19H,6H2,1-5H3,(H2,15,16)
InChIKeyBSIWJBNURXPJCI-UHFFFAOYSA-N
MW347.37 g/mol
LogP-0.18
Rot. Bonds3

About 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide (PubChem CID 50990444) has the molecular formula C14H25N3O7 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide.

Molecular Properties

Compound Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide
PubChem CID50990444
Molecular FormulaC14H25N3O7
Molecular Weight347.37 g/mol
Exact Mass347.17
IUPAC Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide
SMILESCN(O)C1(/C(N)=N/O)C(C2COC(C)(C)O2)OC2OC(C)(C)OC21
InChIInChI=1S/C14H25N3O7/c1-12(2)20-6-7(22-12)8-14(17(5)19,11(15)16-18)9-10(21-8)24-13(3,4)23-9/h7-10,18-19H,6H2,1-5H3,(H2,15,16)
InChIKeyBSIWJBNURXPJCI-UHFFFAOYSA-N
XLogP-0.18
TPSA128.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide?
The IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide (CID 50990444) is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide.
What is the SMILES notation for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide?
The canonical SMILES for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide is CN(O)C1(/C(N)=N/O)C(C2COC(C)(C)O2)OC2OC(C)(C)OC21.
What is the InChIKey of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide?
The InChIKey is BSIWJBNURXPJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O7/c1-12(2)20-6-7(22-12)8-14(17(5)19,11(15)16-18)9-10(21-8)24-13(3,4)23-9/h7-10,18-19H,6H2,1-5H3,(H2,15,16).
What are the key properties of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide?
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide has a molecular weight of 347.37 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-N'-hydroxy-6-[hydroxy(methyl)amino]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboximidamide is sourced from PubChem (CID 50990444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).