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

C10H20N2O3 — CID 11820622

IUPACtert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate
SMILESCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-5-7(11)8(6-12)14-4/h7-8H,5-6,11H2,1-4H3/t7-,8+/m0/s1
InChIKeySTYSIWNZDIJKGC-JGVFFNPUSA-N
MW216.28 g/mol
LogP0.58
Rot. Bonds1

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

tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate (PubChem CID 11820622) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate
PubChem CID11820622
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate
SMILESCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-5-7(11)8(6-12)14-4/h7-8H,5-6,11H2,1-4H3/t7-,8+/m0/s1
InChIKeySTYSIWNZDIJKGC-JGVFFNPUSA-N
XLogP0.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate (CID 11820622) is tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate is CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N.
What is the InChIKey of tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate?
The InChIKey is STYSIWNZDIJKGC-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-5-7(11)8(6-12)14-4/h7-8H,5-6,11H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate?
tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-3-amino-4-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 11820622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).