2-(2-methylindolizin-3-yl)butanoic acid

C13H15NO2 — CID 116993683

IUPAC2-(2-methylindolizin-3-yl)butanoic acid
SMILESCCC(C(=O)O)c1c(C)cc2ccccn12
InChIInChI=1S/C13H15NO2/c1-3-11(13(15)16)12-9(2)8-10-6-4-5-7-14(10)12/h4-8,11H,3H2,1-2H3,(H,15,16)
InChIKeyANYGZDHPQPMXPW-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.83
Rot. Bonds3

About 2-(2-methylindolizin-3-yl)butanoic acid

2-(2-methylindolizin-3-yl)butanoic acid (PubChem CID 116993683) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2-methylindolizin-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-methylindolizin-3-yl)butanoic acid
PubChem CID116993683
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(2-methylindolizin-3-yl)butanoic acid
SMILESCCC(C(=O)O)c1c(C)cc2ccccn12
InChIInChI=1S/C13H15NO2/c1-3-11(13(15)16)12-9(2)8-10-6-4-5-7-14(10)12/h4-8,11H,3H2,1-2H3,(H,15,16)
InChIKeyANYGZDHPQPMXPW-UHFFFAOYSA-N
XLogP2.83
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 18671711
3-(2-methylindolizin-3-yl)benzoic acid
CID 116993636
2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid
CID 68535624
2-methylindolizin-3-olate
CID 18737577
2-(7-methyl-1-benzofuran-2-yl)butanoic acid
CID 82614755
methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate
CID 116993648
(2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone
CID 2326958
2-naphthalen-2-ylbutanoic acid
CID 27266
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide
CID 18884715
2-(3-amino-4-methylphenyl)butanoic acid
CID 130134794
2-methylindolizine-3-carboselenoaldehyde
CID 101139357

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindolizin-3-yl)butanoic acid?
The IUPAC name of 2-(2-methylindolizin-3-yl)butanoic acid (CID 116993683) is 2-(2-methylindolizin-3-yl)butanoic acid.
What is the SMILES notation for 2-(2-methylindolizin-3-yl)butanoic acid?
The canonical SMILES for 2-(2-methylindolizin-3-yl)butanoic acid is CCC(C(=O)O)c1c(C)cc2ccccn12.
What is the InChIKey of 2-(2-methylindolizin-3-yl)butanoic acid?
The InChIKey is ANYGZDHPQPMXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-11(13(15)16)12-9(2)8-10-6-4-5-7-14(10)12/h4-8,11H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methylindolizin-3-yl)butanoic acid?
2-(2-methylindolizin-3-yl)butanoic acid has a molecular weight of 217.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindolizin-3-yl)butanoic acid is sourced from PubChem (CID 116993683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).