tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate

C10H19NO4 — CID 14948608

IUPACtert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate
SMILESCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-5-7(12)8(6-11)14-4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyXAJCELXHUNUFBB-HTQZYQBOSA-N
MW217.26 g/mol
LogP0.61
Rot. Bonds1

About tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate

tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate (PubChem CID 14948608) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate
PubChem CID14948608
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate
SMILESCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-5-7(12)8(6-11)14-4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyXAJCELXHUNUFBB-HTQZYQBOSA-N
XLogP0.61
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate 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 tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate (CID 14948608) is tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate is CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O.
What is the InChIKey of tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate?
The InChIKey is XAJCELXHUNUFBB-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-5-7(12)8(6-11)14-4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate?
tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate has a molecular weight of 217.26 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 14948608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).