tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate

C15H26N2O4 — CID 110631397

IUPACtert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)C2CCCN2C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C15H26N2O4/c1-11-10-16(8-9-20-11)13(18)12-6-5-7-17(12)14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyFUHVRGFXVVMZOV-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.63
Rot. Bonds1

About tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 110631397) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
PubChem CID110631397
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)C2CCCN2C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C15H26N2O4/c1-11-10-16(8-9-20-11)13(18)12-6-5-7-17(12)14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyFUHVRGFXVVMZOV-UHFFFAOYSA-N
XLogP1.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate (CID 110631397) is tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate is CC1CN(C(=O)C2CCCN2C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is FUHVRGFXVVMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11-10-16(8-9-20-11)13(18)12-6-5-7-17(12)14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 110631397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).