3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid

C12H13NO3 — CID 19921669

IUPAC3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(CCCO)c2c1
InChIInChI=1S/C12H13NO3/c14-5-1-2-9-7-13-11-4-3-8(12(15)16)6-10(9)11/h3-4,6-7,13-14H,1-2,5H2,(H,15,16)
InChIKeyFNTXDVRHKISIMG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.79
Rot. Bonds4

About 3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid

3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid (PubChem CID 19921669) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
PubChem CID19921669
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(CCCO)c2c1
InChIInChI=1S/C12H13NO3/c14-5-1-2-9-7-13-11-4-3-8(12(15)16)6-10(9)11/h3-4,6-7,13-14H,1-2,5H2,(H,15,16)
InChIKeyFNTXDVRHKISIMG-UHFFFAOYSA-N
XLogP1.79
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyanopropyl)-1H-indole-5-carboxylic acid
CID 71661534
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
3-(fluoromethyl)-1H-indole-5-carboxylic acid
CID 84664507
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
3-(methoxymethyl)-1H-indole-5-carboxylic acid
CID 117175321
3-hexadecyl-1H-indole-6-carboxylic acid
CID 12797258
3-(2-amino-2-carboxyethyl)-1H-indole-5-carboxylic acid
CID 22669189
3-octyl-1H-indole-6-carboxylic acid
CID 12797257
3-iodo-1H-indole-5-carboxylic acid
CID 50990518
3-[5-(methylsulfonylmethyl)-1H-indol-3-yl]propan-1-ol
CID 19921664
3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936443
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid (CID 19921669) is 3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]cc(CCCO)c2c1.
What is the InChIKey of 3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid?
The InChIKey is FNTXDVRHKISIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-5-1-2-9-7-13-11-4-3-8(12(15)16)6-10(9)11/h3-4,6-7,13-14H,1-2,5H2,(H,15,16).
What are the key properties of 3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid?
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 19921669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).