tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate

C14H24N2O4 — CID 57145037

IUPACtert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)16-5-4-11(10-16)12(17)15-6-8-19-9-7-15/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyDULFPTQBKQFIJV-LLVKDONJSA-N
MW284.36 g/mol
LogP1.10
Rot. Bonds1

About tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate

tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 57145037) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
PubChem CID57145037
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)16-5-4-11(10-16)12(17)15-6-8-19-9-7-15/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyDULFPTQBKQFIJV-LLVKDONJSA-N
XLogP1.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate (CID 57145037) is tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is DULFPTQBKQFIJV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)16-5-4-11(10-16)12(17)15-6-8-19-9-7-15/h11H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 57145037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).