N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide

C9H19N3O2 — CID 77109855

IUPACN'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC1CC(O)C1
InChIInChI=1S/C9H19N3O2/c1-2-6(5-9(10)12-14)11-7-3-8(13)4-7/h6-8,11,13-14H,2-5H2,1H3,(H2,10,12)
InChIKeyDCDGEJVROBXNNB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.01
Rot. Bonds5

About N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide

N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide (PubChem CID 77109855) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide
PubChem CID77109855
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC1CC(O)C1
InChIInChI=1S/C9H19N3O2/c1-2-6(5-9(10)12-14)11-7-3-8(13)4-7/h6-8,11,13-14H,2-5H2,1H3,(H2,10,12)
InChIKeyDCDGEJVROBXNNB-UHFFFAOYSA-N
XLogP0.01
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-3-[(3-hydroxycyclobutyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide (CID 77109855) is N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide is CCC(CC(N)=NO)NC1CC(O)C1.
What is the InChIKey of N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide?
The InChIKey is DCDGEJVROBXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-6(5-9(10)12-14)11-7-3-8(13)4-7/h6-8,11,13-14H,2-5H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide?
N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-hydroxycyclobutyl)amino]pentanimidamide is sourced from PubChem (CID 77109855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).