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

C15H28N2O4 — CID 70267545

IUPACtert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-14(2,3)12(18)20-9-11-7-10(16)8-17(11)13(19)21-15(4,5)6/h10-11H,7-9,16H2,1-6H3/t10-,11-/m1/s1
InChIKeyZJOPLVAXKAKZPM-GHMZBOCLSA-N
MW300.40 g/mol
LogP1.91
Rot. Bonds2

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

tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 70267545) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate
PubChem CID70267545
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-14(2,3)12(18)20-9-11-7-10(16)8-17(11)13(19)21-15(4,5)6/h10-11H,7-9,16H2,1-6H3/t10-,11-/m1/s1
InChIKeyZJOPLVAXKAKZPM-GHMZBOCLSA-N
XLogP1.91
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate (CID 70267545) is tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1COC(=O)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is ZJOPLVAXKAKZPM-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2,3)12(18)20-9-11-7-10(16)8-17(11)13(19)21-15(4,5)6/h10-11H,7-9,16H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 70267545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).