2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid

C12H13N3O4 — CID 82055736

IUPAC2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCc1nc2c(OCC(N)=O)cccn2c1CC(=O)O
InChIInChI=1S/C12H13N3O4/c1-7-8(5-11(17)18)15-4-2-3-9(12(15)14-7)19-6-10(13)16/h2-4H,5-6H2,1H3,(H2,13,16)(H,17,18)
InChIKeyDRIMKJQCDKIBBC-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.13
Rot. Bonds5

About 2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid

2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 82055736) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID82055736
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCc1nc2c(OCC(N)=O)cccn2c1CC(=O)O
InChIInChI=1S/C12H13N3O4/c1-7-8(5-11(17)18)15-4-2-3-9(12(15)14-7)19-6-10(13)16/h2-4H,5-6H2,1H3,(H2,13,16)(H,17,18)
InChIKeyDRIMKJQCDKIBBC-UHFFFAOYSA-N
XLogP0.13
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055750
2-[3-(2-aminoethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-N-butylacetamide
CID 82055769
2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055757
[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea
CID 14368360
2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368363
2-[8-(cyanomethoxy)-2-phenylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 94823631
2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82055784
4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368367
2-(N-(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)anilino)acetic acid
CID 90090164
2-(8-fluoro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82529255
2-[8-methoxy-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82223488
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82529440

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid (CID 82055736) is 2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid is Cc1nc2c(OCC(N)=O)cccn2c1CC(=O)O.
What is the InChIKey of 2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is DRIMKJQCDKIBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7-8(5-11(17)18)15-4-2-3-9(12(15)14-7)19-6-10(13)16/h2-4H,5-6H2,1H3,(H2,13,16)(H,17,18).
What are the key properties of 2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 263.25 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 82055736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).