3-hydroxy-4-methoxypyrrolidine-1-carboximidamide

C6H13N3O2 — CID 121203864

IUPAC3-hydroxy-4-methoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(O)C(OC)C1
InChIInChI=1S/C6H13N3O2/c1-11-5-3-9(6(7)8)2-4(5)10/h4-5,10H,2-3H2,1H3,(H3,7,8)
InChIKeyPGACZKADKKKOFP-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.43
Rot. Bonds1

About 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide

3-hydroxy-4-methoxypyrrolidine-1-carboximidamide (PubChem CID 121203864) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxypyrrolidine-1-carboximidamide
PubChem CID121203864
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name3-hydroxy-4-methoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(O)C(OC)C1
InChIInChI=1S/C6H13N3O2/c1-11-5-3-9(6(7)8)2-4(5)10/h4-5,10H,2-3H2,1H3,(H3,7,8)
InChIKeyPGACZKADKKKOFP-UHFFFAOYSA-N
XLogP-1.43
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide (CID 121203864) is 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CC(O)C(OC)C1.
What is the InChIKey of 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide?
The InChIKey is PGACZKADKKKOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-11-5-3-9(6(7)8)2-4(5)10/h4-5,10H,2-3H2,1H3,(H3,7,8).
What are the key properties of 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide?
3-hydroxy-4-methoxypyrrolidine-1-carboximidamide has a molecular weight of 159.19 g/mol, XLogP of -1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 121203864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).