2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid

C15H17NO3 — CID 116872061

IUPAC2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid
SMILESCC(C(=O)O)C1(c2cn(C)c3ccccc23)COC1
InChIInChI=1S/C15H17NO3/c1-10(14(17)18)15(8-19-9-15)12-7-16(2)13-6-4-3-5-11(12)13/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyDWPHEIOIIOZMNE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.17
Rot. Bonds3

About 2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid

2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid (PubChem CID 116872061) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid
PubChem CID116872061
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid
SMILESCC(C(=O)O)C1(c2cn(C)c3ccccc23)COC1
InChIInChI=1S/C15H17NO3/c1-10(14(17)18)15(8-19-9-15)12-7-16(2)13-6-4-3-5-11(12)13/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyDWPHEIOIIOZMNE-UHFFFAOYSA-N
XLogP2.17
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[3-(1-methylindol-3-yl)oxetan-3-yl]butanenitrile
CID 116875563
2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine
CID 116875329
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-one
CID 116873826
3-(1-methylindol-3-yl)oxetane-3-carbaldehyde
CID 116872351
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine
CID 116869840
1-methyl-3-(2-methyloxiran-2-yl)indole
CID 82468567
[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone
CID 116922589
2-[3-(1-methylindol-3-yl)oxetan-3-yl]ethanethiol
CID 116872556
1-methyl-3-propan-2-ylindole
CID 10942942
1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid
CID 116920986
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453
(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
CID 101252968

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid?
The IUPAC name of 2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid (CID 116872061) is 2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid.
What is the SMILES notation for 2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid?
The canonical SMILES for 2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid is CC(C(=O)O)C1(c2cn(C)c3ccccc23)COC1.
What is the InChIKey of 2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid?
The InChIKey is DWPHEIOIIOZMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(14(17)18)15(8-19-9-15)12-7-16(2)13-6-4-3-5-11(12)13/h3-7,10H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid?
2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid is sourced from PubChem (CID 116872061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).