(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide

C9H15N5O — CID 129496972

IUPAC(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1C[C@H](OC)[C@H](n2ccnc2)C1
InChIInChI=1S/C9H15N5O/c1-15-8-5-14(9(10)11)4-7(8)13-3-2-12-6-13/h2-3,6-8H,4-5H2,1H3,(H3,10,11)/t7-,8+/m1/s1
InChIKeyFVCTULOLZDVXJD-SFYZADRCSA-N
MW209.25 g/mol
LogP-0.35
Rot. Bonds2

About (3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide

(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide (PubChem CID 129496972) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide
PubChem CID129496972
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1C[C@H](OC)[C@H](n2ccnc2)C1
InChIInChI=1S/C9H15N5O/c1-15-8-5-14(9(10)11)4-7(8)13-3-2-12-6-13/h2-3,6-8H,4-5H2,1H3,(H3,10,11)/t7-,8+/m1/s1
InChIKeyFVCTULOLZDVXJD-SFYZADRCSA-N
XLogP-0.35
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4S)-3-imidazol-1-yl-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 (3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of (3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide (CID 129496972) is (3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for (3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for (3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide is [H]/N=C(\N)N1C[C@H](OC)[C@H](n2ccnc2)C1.
What is the InChIKey of (3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide?
The InChIKey is FVCTULOLZDVXJD-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15N5O/c1-15-8-5-14(9(10)11)4-7(8)13-3-2-12-6-13/h2-3,6-8H,4-5H2,1H3,(H3,10,11)/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide?
(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide has a molecular weight of 209.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 129496972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).