tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate

C14H26N2O3 — CID 69159929

IUPACtert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-6-4-5-12(16)11-15-7-9-18-10-8-15/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyJNDXZRVQIUOEGJ-GFCCVEGCSA-N
MW270.37 g/mol
LogP1.72
Rot. Bonds2

About tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate (PubChem CID 69159929) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate
PubChem CID69159929
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-6-4-5-12(16)11-15-7-9-18-10-8-15/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyJNDXZRVQIUOEGJ-GFCCVEGCSA-N
XLogP1.72
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate (CID 69159929) is tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCOCC1.
What is the InChIKey of tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is JNDXZRVQIUOEGJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-6-4-5-12(16)11-15-7-9-18-10-8-15/h12H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 69159929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).