1-(oxolan-2-ylmethyl)indole-5-carboxylic acid

C14H15NO3 — CID 63749653

IUPAC1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2CC2CCCO2)c1
InChIInChI=1S/C14H15NO3/c16-14(17)11-3-4-13-10(8-11)5-6-15(13)9-12-2-1-7-18-12/h3-6,8,12H,1-2,7,9H2,(H,16,17)
InChIKeyAPRPIEYSFDAJNF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.52
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)indole-5-carboxylic acid

1-(oxolan-2-ylmethyl)indole-5-carboxylic acid (PubChem CID 63749653) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
PubChem CID63749653
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2CC2CCCO2)c1
InChIInChI=1S/C14H15NO3/c16-14(17)11-3-4-13-10(8-11)5-6-15(13)9-12-2-1-7-18-12/h3-6,8,12H,1-2,7,9H2,(H,16,17)
InChIKeyAPRPIEYSFDAJNF-UHFFFAOYSA-N
XLogP2.52
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
1-(oxan-2-ylmethyl)indole-6-carboxylic acid
CID 63936403
1-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 54942703
[1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 57456467
3-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791226
6-fluoro-1-(oxolan-2-ylmethyl)indole
CID 116619846
N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide
CID 107917557
1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine
CID 102917685
1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
2-(oxolan-2-ylmethyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163482
1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid
CID 155191752
N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
CID 125169183

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)indole-5-carboxylic acid?
The IUPAC name of 1-(oxolan-2-ylmethyl)indole-5-carboxylic acid (CID 63749653) is 1-(oxolan-2-ylmethyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(oxolan-2-ylmethyl)indole-5-carboxylic acid is O=C(O)c1ccc2c(ccn2CC2CCCO2)c1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)indole-5-carboxylic acid?
The InChIKey is APRPIEYSFDAJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-14(17)11-3-4-13-10(8-11)5-6-15(13)9-12-2-1-7-18-12/h3-6,8,12H,1-2,7,9H2,(H,16,17).
What are the key properties of 1-(oxolan-2-ylmethyl)indole-5-carboxylic acid?
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)indole-5-carboxylic acid is sourced from PubChem (CID 63749653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).