N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide

C7H15N3O2 — CID 62942068

IUPACN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide
SMILESCC(/C(N)=N/O)N1CCC(O)C1
InChIInChI=1S/C7H15N3O2/c1-5(7(8)9-12)10-3-2-6(11)4-10/h5-6,11-12H,2-4H2,1H3,(H2,8,9)
InChIKeyOMPAGPMBRPBUBW-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.81
Rot. Bonds2

About N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide

N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide (PubChem CID 62942068) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide
PubChem CID62942068
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide
SMILESCC(/C(N)=N/O)N1CCC(O)C1
InChIInChI=1S/C7H15N3O2/c1-5(7(8)9-12)10-3-2-6(11)4-10/h5-6,11-12H,2-4H2,1H3,(H2,8,9)
InChIKeyOMPAGPMBRPBUBW-UHFFFAOYSA-N
XLogP-0.81
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
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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Related Compounds

N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 62941516
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62941704
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62941707
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 62941886
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 62942069
2-(3-Hydroxypyrrolidin-1-yl)ethanimidamide
CID 62943188
2-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943760
2-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943949
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]butanimidamide
CID 76915672
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]propanimidamide
CID 76939994
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]butanimidamide
CID 76940008
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 76981271

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide (CID 62942068) is N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide is CC(/C(N)=N/O)N1CCC(O)C1.
What is the InChIKey of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide?
The InChIKey is OMPAGPMBRPBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5(7(8)9-12)10-3-2-6(11)4-10/h5-6,11-12H,2-4H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide?
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide has a molecular weight of 173.22 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide is sourced from PubChem (CID 62942068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).