N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide

C10H21N3O3 — CID 106101872

IUPACN'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide
SMILESCCC(NCC1(O)CCOC1C)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-3-8(9(11)13-15)12-6-10(14)4-5-16-7(10)2/h7-8,12,14-15H,3-6H2,1-2H3,(H2,11,13)
InChIKeyIXMWBKWZELJHQZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.36
Rot. Bonds5

About N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide

N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide (PubChem CID 106101872) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide
PubChem CID106101872
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide
SMILESCCC(NCC1(O)CCOC1C)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-3-8(9(11)13-15)12-6-10(14)4-5-16-7(10)2/h7-8,12,14-15H,3-6H2,1-2H3,(H2,11,13)
InChIKeyIXMWBKWZELJHQZ-UHFFFAOYSA-N
XLogP-0.36
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
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 N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide (CID 106101872) is N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide is CCC(NCC1(O)CCOC1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide?
The InChIKey is IXMWBKWZELJHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-3-8(9(11)13-15)12-6-10(14)4-5-16-7(10)2/h7-8,12,14-15H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide?
N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide has a molecular weight of 231.30 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide is sourced from PubChem (CID 106101872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).