tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate

C15H19N3O3 — CID 80999369

IUPACtert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1cn2ccccc2n1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H19N3O3/c1-10(14(20)21-15(2,3)4)16-13(19)11-9-18-8-6-5-7-12(18)17-11/h5-10H,1-4H3,(H,16,19)/t10-/m1/s1
InChIKeyJRKVVMULSRYYQI-SNVBAGLBSA-N
MW289.33 g/mol
LogP1.79
Rot. Bonds3

About tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate

tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate (PubChem CID 80999369) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate
PubChem CID80999369
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Nametert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1cn2ccccc2n1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H19N3O3/c1-10(14(20)21-15(2,3)4)16-13(19)11-9-18-8-6-5-7-12(18)17-11/h5-10H,1-4H3,(H,16,19)/t10-/m1/s1
InChIKeyJRKVVMULSRYYQI-SNVBAGLBSA-N
XLogP1.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoic acid
CID 43170854
(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
CID 61173973
N-(1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 43419304
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoic acid
CID 43630934
tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
CID 81003529
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
N-(4-hydroxy-2,2-dimethylbutyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 103824953
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 40972028
tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate
CID 155191227
tert-butyl (2S)-2-[(6-chloropyrazine-2-carbonyl)amino]propanoate
CID 106551571

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate (CID 80999369) is tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate is C[C@@H](NC(=O)c1cn2ccccc2n1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate?
The InChIKey is JRKVVMULSRYYQI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(14(20)21-15(2,3)4)16-13(19)11-9-18-8-6-5-7-12(18)17-11/h5-10H,1-4H3,(H,16,19)/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate?
tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate has a molecular weight of 289.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate is sourced from PubChem (CID 80999369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).