tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate

C15H23N3O4 — CID 103554079

IUPACtert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate
SMILESCn1ccnc1CC(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-7-8-21-10-11(18)12(19)9-13-16-5-6-17(13)4/h5-6,11H,7-10H2,1-4H3
InChIKeyLUVZOTOLDSLOKS-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.17
Rot. Bonds3

About tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate

tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate (PubChem CID 103554079) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate
PubChem CID103554079
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate
SMILESCn1ccnc1CC(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-7-8-21-10-11(18)12(19)9-13-16-5-6-17(13)4/h5-6,11H,7-10H2,1-4H3
InChIKeyLUVZOTOLDSLOKS-UHFFFAOYSA-N
XLogP1.17
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate (CID 103554079) is tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate is Cn1ccnc1CC(=O)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate?
The InChIKey is LUVZOTOLDSLOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-7-8-21-10-11(18)12(19)9-13-16-5-6-17(13)4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate?
tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).