2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide

C7H15N3O3 — CID 106669726

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CC(O)C(O)C1
InChIInChI=1S/C7H15N3O3/c1-4(7(8)9-13)10-2-5(11)6(12)3-10/h4-6,11-13H,2-3H2,1H3,(H2,8,9)
InChIKeyBDCWZRMYNSJQOC-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.84
Rot. Bonds2

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 106669726) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
PubChem CID106669726
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CC(O)C(O)C1
InChIInChI=1S/C7H15N3O3/c1-4(7(8)9-13)10-2-5(11)6(12)3-10/h4-6,11-13H,2-3H2,1H3,(H2,8,9)
InChIKeyBDCWZRMYNSJQOC-UHFFFAOYSA-N
XLogP-1.84
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide (CID 106669726) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is BDCWZRMYNSJQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-4(7(8)9-13)10-2-5(11)6(12)3-10/h4-6,11-13H,2-3H2,1H3,(H2,8,9).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 189.21 g/mol, XLogP of -1.84, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 106669726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).