ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate

C12H20N2O4 — CID 60750693

IUPACethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C12H20N2O4/c1-2-18-12(16)14-5-3-4-10(14)11(15)13-6-8-17-9-7-13/h10H,2-9H2,1H3
InChIKeyAWYKUOGLMSBRLD-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.47
Rot. Bonds2

About ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate

ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 60750693) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
PubChem CID60750693
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C12H20N2O4/c1-2-18-12(16)14-5-3-4-10(14)11(15)13-6-8-17-9-7-13/h10H,2-9H2,1H3
InChIKeyAWYKUOGLMSBRLD-UHFFFAOYSA-N
XLogP0.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate (CID 60750693) is ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1C(=O)N1CCOCC1.
What is the InChIKey of ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is AWYKUOGLMSBRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-18-12(16)14-5-3-4-10(14)11(15)13-6-8-17-9-7-13/h10H,2-9H2,1H3.
What are the key properties of ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate?
ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 60750693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).