(2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid

C11H11N3O4 — CID 107833160

IUPAC(2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1cnn2ccccc12
InChIInChI=1S/C11H11N3O4/c15-9(11(17)18)6-12-10(16)7-5-13-14-4-2-1-3-8(7)14/h1-5,9,15H,6H2,(H,12,16)(H,17,18)/t9-/m0/s1
InChIKeyHEKYHXFESJYFGX-VIFPVBQESA-N
MW249.23 g/mol
LogP-0.49
Rot. Bonds4

About (2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid

(2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid (PubChem CID 107833160) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
PubChem CID107833160
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name(2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1cnn2ccccc12
InChIInChI=1S/C11H11N3O4/c15-9(11(17)18)6-12-10(16)7-5-13-14-4-2-1-3-8(7)14/h1-5,9,15H,6H2,(H,12,16)(H,17,18)/t9-/m0/s1
InChIKeyHEKYHXFESJYFGX-VIFPVBQESA-N
XLogP-0.49
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)butanoic acid
CID 114006253
N-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103806904
N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120826687
N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122611
N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106287553
N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122688
N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113412163
N-(2-methylprop-2-enyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104955628
N-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882438
2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid
CID 119241632
2-[(4-ethoxyphenyl)methyl]-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 119231994
N-[2-(ethylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113265553

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid (CID 107833160) is (2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid is O=C(NC[C@H](O)C(=O)O)c1cnn2ccccc12.
What is the InChIKey of (2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
The InChIKey is HEKYHXFESJYFGX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N3O4/c15-9(11(17)18)6-12-10(16)7-5-13-14-4-2-1-3-8(7)14/h1-5,9,15H,6H2,(H,12,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid?
(2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid has a molecular weight of 249.23 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid is sourced from PubChem (CID 107833160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).