[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone

C13H21N3O3 — CID 128984924

IUPAC[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCO[C@@H]1C[C@@H](CO)N(C(=O)c2cn(C(C)C)cn2)C1
InChIInChI=1S/C13H21N3O3/c1-9(2)15-6-12(14-8-15)13(18)16-5-11(19-3)4-10(16)7-17/h6,8-11,17H,4-5,7H2,1-3H3/t10-,11+/m0/s1
InChIKeyCRJMMVOEJSEOOJ-WDEREUQCSA-N
MW267.33 g/mol
LogP0.69
Rot. Bonds4

About [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone

[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone (PubChem CID 128984924) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
PubChem CID128984924
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCO[C@@H]1C[C@@H](CO)N(C(=O)c2cn(C(C)C)cn2)C1
InChIInChI=1S/C13H21N3O3/c1-9(2)15-6-12(14-8-15)13(18)16-5-11(19-3)4-10(16)7-17/h6,8-11,17H,4-5,7H2,1-3H3/t10-,11+/m0/s1
InChIKeyCRJMMVOEJSEOOJ-WDEREUQCSA-N
XLogP0.69
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone 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 [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The IUPAC name of [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone (CID 128984924) is [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone.
What is the SMILES notation for [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The canonical SMILES for [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone is CO[C@@H]1C[C@@H](CO)N(C(=O)c2cn(C(C)C)cn2)C1.
What is the InChIKey of [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The InChIKey is CRJMMVOEJSEOOJ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)15-6-12(14-8-15)13(18)16-5-11(19-3)4-10(16)7-17/h6,8-11,17H,4-5,7H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone is sourced from PubChem (CID 128984924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).