tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate

C14H18BrN3O2 — CID 167356473

IUPACtert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)Cc1cn2ccc(Br)cc2n1
InChIInChI=1S/C14H18BrN3O2/c1-14(2,3)20-13(19)11(16)7-10-8-18-5-4-9(15)6-12(18)17-10/h4-6,8,11H,7,16H2,1-3H3/t11-/m0/s1
InChIKeyPXGUOHMWZWPYIH-NSHDSACASA-N
MW340.22 g/mol
LogP2.31
Rot. Bonds3

About tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate

tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate (PubChem CID 167356473) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate
PubChem CID167356473
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Nametert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)Cc1cn2ccc(Br)cc2n1
InChIInChI=1S/C14H18BrN3O2/c1-14(2,3)20-13(19)11(16)7-10-8-18-5-4-9(15)6-12(18)17-10/h4-6,8,11H,7,16H2,1-3H3/t11-/m0/s1
InChIKeyPXGUOHMWZWPYIH-NSHDSACASA-N
XLogP2.31
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate?
The IUPAC name of tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate (CID 167356473) is tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate is CC(C)(C)OC(=O)[C@@H](N)Cc1cn2ccc(Br)cc2n1.
What is the InChIKey of tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate?
The InChIKey is PXGUOHMWZWPYIH-NSHDSACASA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-14(2,3)20-13(19)11(16)7-10-8-18-5-4-9(15)6-12(18)17-10/h4-6,8,11H,7,16H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate?
tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate has a molecular weight of 340.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-3-(7-bromoimidazo[1,2-a]pyridin-2-yl)propanoate is sourced from PubChem (CID 167356473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).