tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate

C14H20N4O2 — CID 70358969

IUPACtert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate
SMILESCC(C)(C)OC(=O)CC(N)Nc1cccc2nccn12
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)9-10(15)17-12-6-4-5-11-16-7-8-18(11)12/h4-8,10,17H,9,15H2,1-3H3
InChIKeyYAISIXXWRQDKCD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.76
Rot. Bonds4

About tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate

tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate (PubChem CID 70358969) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate
PubChem CID70358969
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nametert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate
SMILESCC(C)(C)OC(=O)CC(N)Nc1cccc2nccn12
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)9-10(15)17-12-6-4-5-11-16-7-8-18(11)12/h4-8,10,17H,9,15H2,1-3H3
InChIKeyYAISIXXWRQDKCD-UHFFFAOYSA-N
XLogP1.76
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate?
The IUPAC name of tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate (CID 70358969) is tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate.
What is the SMILES notation for tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate?
The canonical SMILES for tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate is CC(C)(C)OC(=O)CC(N)Nc1cccc2nccn12.
What is the InChIKey of tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate?
The InChIKey is YAISIXXWRQDKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)9-10(15)17-12-6-4-5-11-16-7-8-18(11)12/h4-8,10,17H,9,15H2,1-3H3.
What are the key properties of tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate?
tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate is sourced from PubChem (CID 70358969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).