3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid

C14H17N3O5 — CID 110496815

IUPAC3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid
SMILESCc1cn2cccc(OCC(=O)NC(C(=O)O)C(C)O)c2n1
InChIInChI=1S/C14H17N3O5/c1-8-6-17-5-3-4-10(13(17)15-8)22-7-11(19)16-12(9(2)18)14(20)21/h3-6,9,12,18H,7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyBNGNAOIXWIQKNW-UHFFFAOYSA-N
MW307.31 g/mol
LogP-0.03
Rot. Bonds6

About 3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid

3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid (PubChem CID 110496815) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid
PubChem CID110496815
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid
SMILESCc1cn2cccc(OCC(=O)NC(C(=O)O)C(C)O)c2n1
InChIInChI=1S/C14H17N3O5/c1-8-6-17-5-3-4-10(13(17)15-8)22-7-11(19)16-12(9(2)18)14(20)21/h3-6,9,12,18H,7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyBNGNAOIXWIQKNW-UHFFFAOYSA-N
XLogP-0.03
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]pentanoic acid
CID 110496809
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496752
N-(2,6-dichlorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500214
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110496806
5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid
CID 110500173
(2S,3R)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964954
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 43238739
N-[(4-methoxyphenyl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496780
N-[2-(4-hydroxyphenyl)ethyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496747
N-[(4-chlorophenyl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496827
[4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid
CID 110500265
N-(2,4-difluorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500320

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid (CID 110496815) is 3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid is Cc1cn2cccc(OCC(=O)NC(C(=O)O)C(C)O)c2n1.
What is the InChIKey of 3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid?
The InChIKey is BNGNAOIXWIQKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-8-6-17-5-3-4-10(13(17)15-8)22-7-11(19)16-12(9(2)18)14(20)21/h3-6,9,12,18H,7H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid?
3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid has a molecular weight of 307.31 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid is sourced from PubChem (CID 110496815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).