3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide

C7H15N3O3 — CID 106669750

IUPAC3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
SMILESNC(CCN1CC(O)C(O)C1)=NO
InChIInChI=1S/C7H15N3O3/c8-7(9-13)1-2-10-3-5(11)6(12)4-10/h5-6,11-13H,1-4H2,(H2,8,9)
InChIKeyQFCCANVELKBZDQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.84
Rot. Bonds3

About 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide

3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 106669750) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
PubChem CID106669750
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
SMILESNC(CCN1CC(O)C(O)C1)=NO
InChIInChI=1S/C7H15N3O3/c8-7(9-13)1-2-10-3-5(11)6(12)4-10/h5-6,11-13H,1-4H2,(H2,8,9)
InChIKeyQFCCANVELKBZDQ-UHFFFAOYSA-N
XLogP-1.84
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.84
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide
CID 103369402
2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 113862564
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)propanimidamide
CID 62942068
3-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943378
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 76981271
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 76981272
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 76981279
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
CID 76981281

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide (CID 106669750) is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide is NC(CCN1CC(O)C(O)C1)=NO.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is QFCCANVELKBZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c8-7(9-13)1-2-10-3-5(11)6(12)4-10/h5-6,11-13H,1-4H2,(H2,8,9).
What are the key properties of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide?
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 189.21 g/mol, XLogP of -1.84, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 106669750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).