tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate

C17H22N4O3 — CID 57095288

IUPACtert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(CN2CCC(N)C2=O)cc2ncccc21
InChIInChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)21-11(9-13-14(21)5-4-7-19-13)10-20-8-6-12(18)15(20)22/h4-5,7,9,12H,6,8,10,18H2,1-3H3
InChIKeyDOVFDMZDTSEESI-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.88
Rot. Bonds2

About tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate

tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate (PubChem CID 57095288) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate
PubChem CID57095288
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nametert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(CN2CCC(N)C2=O)cc2ncccc21
InChIInChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)21-11(9-13-14(21)5-4-7-19-13)10-20-8-6-12(18)15(20)22/h4-5,7,9,12H,6,8,10,18H2,1-3H3
InChIKeyDOVFDMZDTSEESI-UHFFFAOYSA-N
XLogP1.88
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate (CID 57095288) is tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate is CC(C)(C)OC(=O)n1c(CN2CCC(N)C2=O)cc2ncccc21.
What is the InChIKey of tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate?
The InChIKey is DOVFDMZDTSEESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)21-11(9-13-14(21)5-4-7-19-13)10-20-8-6-12(18)15(20)22/h4-5,7,9,12H,6,8,10,18H2,1-3H3.
What are the key properties of tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate?
tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-amino-2-oxopyrrolidin-1-yl)methyl]pyrrolo[3,2-b]pyridine-1-carboxylate is sourced from PubChem (CID 57095288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).