tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate

C15H26N2O5 — CID 16725155

IUPACtert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)CN(C)C(=O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O5/c1-6-21-12(18)10-16(5)13(19)11-8-7-9-17(11)14(20)22-15(2,3)4/h11H,6-10H2,1-5H3
InChIKeyJZXPXTGNIXKIOG-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.41
Rot. Bonds4

About tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate (PubChem CID 16725155) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate
PubChem CID16725155
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)CN(C)C(=O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O5/c1-6-21-12(18)10-16(5)13(19)11-8-7-9-17(11)14(20)22-15(2,3)4/h11H,6-10H2,1-5H3
InChIKeyJZXPXTGNIXKIOG-UHFFFAOYSA-N
XLogP1.41
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate (CID 16725155) is tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate is CCOC(=O)CN(C)C(=O)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is JZXPXTGNIXKIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-6-21-12(18)10-16(5)13(19)11-8-7-9-17(11)14(20)22-15(2,3)4/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 16725155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).