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

C14H20N4O2 — CID 70358968

IUPACtert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate
SMILESCC(C)(C)OC(=O)C(N)CNc1cccc2nccn12
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)10(15)9-17-12-6-4-5-11-16-7-8-18(11)12/h4-8,10,17H,9,15H2,1-3H3
InChIKeyJNKKSVLIPNUVCC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.42
Rot. Bonds4

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

tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate (PubChem CID 70358968) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate
PubChem CID70358968
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nametert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate
SMILESCC(C)(C)OC(=O)C(N)CNc1cccc2nccn12
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)10(15)9-17-12-6-4-5-11-16-7-8-18(11)12/h4-8,10,17H,9,15H2,1-3H3
InChIKeyJNKKSVLIPNUVCC-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate
CID 70358969
N-(2,2-dimethoxyethyl)imidazo[1,2-a]pyridin-5-amine
CID 107390183
3-(imidazo[1,2-a]pyridin-5-ylamino)-2,2-dimethylpropanamide
CID 106277717
2-(imidazo[1,2-a]pyridin-5-ylamino)acetic acid
CID 162696041
tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10520632
2-(imidazo[1,2-a]pyridin-5-ylamino)propan-1-ol
CID 102625375
3-(imidazo[1,2-a]pyridin-5-ylamino)-N-(2-methoxyethyl)propanamide
CID 102625776
N-(1-methoxypropan-2-yl)imidazo[1,2-a]pyridin-5-amine
CID 102625322
N-[[2-(aminomethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-amine
CID 102626046
N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 102625319
N'-ethyl-N-imidazo[1,2-a]pyridin-5-yl-N'-methylethane-1,2-diamine
CID 102625580
2-[4-(imidazo[1,2-a]pyridin-5-ylamino)piperidin-1-yl]acetamide
CID 102625426

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate?
The IUPAC name of tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate (CID 70358968) is tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate.
What is the SMILES notation for tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate?
The canonical SMILES for tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate is CC(C)(C)OC(=O)C(N)CNc1cccc2nccn12.
What is the InChIKey of tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate?
The InChIKey is JNKKSVLIPNUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)10(15)9-17-12-6-4-5-11-16-7-8-18(11)12/h4-8,10,17H,9,15H2,1-3H3.
What are the key properties of tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate?
tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate is sourced from PubChem (CID 70358968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).