tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate

C11H15BrN2O2 — CID 54591947

IUPACtert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNc1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)7-14-9-5-4-8(12)6-13-9/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyHGWYVEYFHNNWAF-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate

tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate (PubChem CID 54591947) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
PubChem CID54591947
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Nametert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNc1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)7-14-9-5-4-8(12)6-13-9/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyHGWYVEYFHNNWAF-UHFFFAOYSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(5-bromo-2-pyridinyl)-3-oxopropanoate
CID 71580223
tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
tert-butyl N-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 177054913
tert-butyl 3-(5-bromo-2-pyridinyl)propanoate
CID 134284473
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822
tert-butyl 4-(5-bromo-2-pyridinyl)-4-cyanopentanoate
CID 170737601
tert-butyl 3-[(5-bromo-2-pyridinyl)sulfanyl]propanoate
CID 115590566
methyl 4-[(5-bromo-2-pyridinyl)amino]-3,3-dimethyl-4-oxobutanoate
CID 90009998
tert-butyl 2-[[(5-bromo-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 67090767
tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate
CID 148647674
tert-butyl 4-(5-bromo-2-pyridinyl)-4-isocyanopentanoate
CID 171406533
tert-butyl 2-[2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 134481656

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate (CID 54591947) is tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate is CC(C)(C)OC(=O)CNc1ccc(Br)cn1.
What is the InChIKey of tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate?
The InChIKey is HGWYVEYFHNNWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)7-14-9-5-4-8(12)6-13-9/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate?
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate has a molecular weight of 287.16 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate is sourced from PubChem (CID 54591947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).