tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate

C12H15N3O2 — CID 152563693

IUPACtert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2cc(N)cnc21
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15/h4-7H,13H2,1-3H3
InChIKeyYQAJYODPVNDMAL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.40
Rot. Bonds

About tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate

tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate (PubChem CID 152563693) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate
PubChem CID152563693
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nametert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2cc(N)cnc21
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15/h4-7H,13H2,1-3H3
InChIKeyYQAJYODPVNDMAL-UHFFFAOYSA-N
XLogP2.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-(phenylmethoxycarbonylamino)pyrrolo[2,3-b]pyridine-1-carboxylate
CID 154465946
tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate
CID 164886175
tert-butyl 4-chloro-5-fluoropyrrolo[2,3-b]pyridine-1-carboxylate
CID 146296445
tert-butyl 6-cyanopyrrolo[2,3-b]pyridine-1-carboxylate
CID 71743190
tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate
CID 170775187
tert-butyl 5-hydroxyindole-1-carboxylate
CID 22596220
tert-butyl 7-chloropyrrolo[2,3-c]pyridine-1-carboxylate
CID 155294375
tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 91663887
tert-butyl 4-bromopyrrolo[2,3-b]pyridine-1-carboxylate
CID 58298320
tert-butyl furo[3,4-b]pyrrole-1-carboxylate
CID 168870620
tert-butyl 5-sulfanylindole-1-carboxylate
CID 67040248
1-[(2-methylpropan-2-yl)oxycarbonyl]indole-6-carboxylic acid
CID 22344502

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate (CID 152563693) is tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate is CC(C)(C)OC(=O)n1ccc2cc(N)cnc21.
What is the InChIKey of tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate?
The InChIKey is YQAJYODPVNDMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15/h4-7H,13H2,1-3H3.
What are the key properties of tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate?
tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 152563693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).