2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide

C6H13N3O2 — CID 106669803

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CC(O)C(O)C1
InChIInChI=1S/C6H13N3O2/c7-6(8)3-9-1-4(10)5(11)2-9/h4-5,10-11H,1-3H2,(H3,7,8)
InChIKeyIDHHYLBNNFYIDS-UHFFFAOYSA-N
MW159.19 g/mol
LogP-2.04
Rot. Bonds2

About 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide

2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide (PubChem CID 106669803) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide
PubChem CID106669803
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CC(O)C(O)C1
InChIInChI=1S/C6H13N3O2/c7-6(8)3-9-1-4(10)5(11)2-9/h4-5,10-11H,1-3H2,(H3,7,8)
InChIKeyIDHHYLBNNFYIDS-UHFFFAOYSA-N
XLogP-2.04
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-2.04
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'}

Analyze 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 62941516
2-(3-Hydroxypyrrolidin-1-yl)ethanimidamide
CID 62943188
4-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943376
3-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943378
2-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943760
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 76981271
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
CID 106669726
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyethanimidamide
CID 106669730
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide
CID 106669731
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide
CID 106669742
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
CID 106669750
2-(3,4-Dihydroxypyrrolidin-1-yl)butanimidamide
CID 106669798

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide (CID 106669803) is 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide is [H]/N=C(\N)CN1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide?
The InChIKey is IDHHYLBNNFYIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-6(8)3-9-1-4(10)5(11)2-9/h4-5,10-11H,1-3H2,(H3,7,8).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide?
2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide has a molecular weight of 159.19 g/mol, XLogP of -2.04, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)ethanimidamide is sourced from PubChem (CID 106669803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).