(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid

C12H13N3O4 — CID 107833206

IUPAC(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
SMILESO=C(Cc1cn2ccccc2n1)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H13N3O4/c16-9(12(18)19)6-13-11(17)5-8-7-15-4-2-1-3-10(15)14-8/h1-4,7,9,16H,5-6H2,(H,13,17)(H,18,19)/t9-/m0/s1
InChIKeyXQXLUGMUMVERLZ-VIFPVBQESA-N
MW263.25 g/mol
LogP-0.56
Rot. Bonds5

About (2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid (PubChem CID 107833206) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
PubChem CID107833206
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
SMILESO=C(Cc1cn2ccccc2n1)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H13N3O4/c16-9(12(18)19)6-13-11(17)5-8-7-15-4-2-1-3-10(15)14-8/h1-4,7,9,16H,5-6H2,(H,13,17)(H,18,19)/t9-/m0/s1
InChIKeyXQXLUGMUMVERLZ-VIFPVBQESA-N
XLogP-0.56
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65220306
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 43355303
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 95246565
3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43353673
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
CID 43353990
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43469348
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]pentanoic acid
CID 43630447
N-(2-amino-2-ethylbutyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119639792
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103843309
N-[2-(2,6-difluorophenyl)ethyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 87006920
(E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid
CID 120693374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid (CID 107833206) is (2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid is O=C(Cc1cn2ccccc2n1)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid?
The InChIKey is XQXLUGMUMVERLZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O4/c16-9(12(18)19)6-13-11(17)5-8-7-15-4-2-1-3-10(15)14-8/h1-4,7,9,16H,5-6H2,(H,13,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid has a molecular weight of 263.25 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 107833206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).