tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate

C17H23N3O3 — CID 152901440

IUPACtert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate
SMILESCn1c(C2CN(C(=O)OC(C)(C)C)CCO2)cc2ncccc21
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)20-8-9-22-15(11-20)14-10-12-13(19(14)4)6-5-7-18-12/h5-7,10,15H,8-9,11H2,1-4H3
InChIKeyUFKLIDVOBPXTRJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.88
Rot. Bonds1

About tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate

tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate (PubChem CID 152901440) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate
PubChem CID152901440
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate
SMILESCn1c(C2CN(C(=O)OC(C)(C)C)CCO2)cc2ncccc21
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)20-8-9-22-15(11-20)14-10-12-13(19(14)4)6-5-7-18-12/h5-7,10,15H,8-9,11H2,1-4H3
InChIKeyUFKLIDVOBPXTRJ-UHFFFAOYSA-N
XLogP2.88
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 2-phenylmorpholine-4-carboxylate
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tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate
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CID 162016125

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate (CID 152901440) is tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate is Cn1c(C2CN(C(=O)OC(C)(C)C)CCO2)cc2ncccc21.
What is the InChIKey of tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate?
The InChIKey is UFKLIDVOBPXTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)20-8-9-22-15(11-20)14-10-12-13(19(14)4)6-5-7-18-12/h5-7,10,15H,8-9,11H2,1-4H3.
What are the key properties of tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate?
tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 152901440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).