4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C10H23N3O3 — CID 77114403

IUPAC4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(O)(CO)CNCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O3/c1-9(2,8(11)13-16)4-5-12-6-10(3,15)7-14/h12,14-16H,4-7H2,1-3H3,(H2,11,13)
InChIKeyDWIGHEXWNYQOMK-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.52
Rot. Bonds7

About 4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77114403) has the molecular formula C10H23N3O3 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77114403
Molecular FormulaC10H23N3O3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(O)(CO)CNCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O3/c1-9(2,8(11)13-16)4-5-12-6-10(3,15)7-14/h12,14-16H,4-7H2,1-3H3,(H2,11,13)
InChIKeyDWIGHEXWNYQOMK-UHFFFAOYSA-N
XLogP-0.52
TPSA111.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77114403) is 4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CC(O)(CO)CNCCC(C)(C)C(N)=NO.
What is the InChIKey of 4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is DWIGHEXWNYQOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3/c1-9(2,8(11)13-16)4-5-12-6-10(3,15)7-14/h12,14-16H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 233.31 g/mol, XLogP of -0.52, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77114403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).