2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid

C13H13N3O3S — CID 122067493

IUPAC2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1nc2cccnc2s1)C1CC1
InChIInChI=1S/C13H13N3O3S/c1-7(13(18)19)16(8-4-5-8)12(17)11-15-9-3-2-6-14-10(9)20-11/h2-3,6-8H,4-5H2,1H3,(H,18,19)
InChIKeyVXSGVYJMXXMUFD-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.77
Rot. Bonds4

About 2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid

2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid (PubChem CID 122067493) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid
PubChem CID122067493
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1nc2cccnc2s1)C1CC1
InChIInChI=1S/C13H13N3O3S/c1-7(13(18)19)16(8-4-5-8)12(17)11-15-9-3-2-6-14-10(9)20-11/h2-3,6-8H,4-5H2,1H3,(H,18,19)
InChIKeyVXSGVYJMXXMUFD-UHFFFAOYSA-N
XLogP1.77
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 119202765
2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
CID 119203438
2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid
CID 119203134
2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid
CID 119203139
[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
CID 136587450
2-[cyclopropyl-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]propanoic acid
CID 122067279
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 126800848
N-[[1-([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)piperidin-2-yl]methyl]acetamide
CID 154780110
N-(2,3-dihydro-1H-inden-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 126780618
2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119203001
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
CID 103979407
[(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
CID 124737688

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid (CID 122067493) is 2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)c1nc2cccnc2s1)C1CC1.
What is the InChIKey of 2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is VXSGVYJMXXMUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-7(13(18)19)16(8-4-5-8)12(17)11-15-9-3-2-6-14-10(9)20-11/h2-3,6-8H,4-5H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid?
2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 291.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122067493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).