tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate

C12H24N2O3 — CID 58303426

IUPACtert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate
SMILESCCOC[C@@H]1C[C@@H](N)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-5-16-8-10-6-9(13)7-14(10)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9-,10+/m1/s1
InChIKeyZWOQZIBNZLCVOU-ZJUUUORDSA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds3

About tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 58303426) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate
PubChem CID58303426
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate
SMILESCCOC[C@@H]1C[C@@H](N)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-5-16-8-10-6-9(13)7-14(10)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9-,10+/m1/s1
InChIKeyZWOQZIBNZLCVOU-ZJUUUORDSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate (CID 58303426) is tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate is CCOC[C@@H]1C[C@@H](N)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is ZWOQZIBNZLCVOU-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-16-8-10-6-9(13)7-14(10)11(15)17-12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-amino-2-(ethoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58303426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).