3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride

C11H12ClNO3 — CID 142678890

IUPAC3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C11H11NO3.ClH/c13-8-2-3-10-9(5-8)7(6-12-10)1-4-11(14)15;/h2-3,5-6,12-13H,1,4H2,(H,14,15);1H
InChIKeyXHQLIHMZYCWOQW-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.31
Rot. Bonds3

About 3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride

3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride (PubChem CID 142678890) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
PubChem CID142678890
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C11H11NO3.ClH/c13-8-2-3-10-9(5-8)7(6-12-10)1-4-11(14)15;/h2-3,5-6,12-13H,1,4H2,(H,14,15);1H
InChIKeyXHQLIHMZYCWOQW-UHFFFAOYSA-N
XLogP2.31
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
3-propyl-1H-indol-5-ol
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3-(5-methylsulfonyl-1H-indol-3-yl)propanoic acid
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3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one
CID 157120975
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
CID 67100143
N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide
CID 18360710
(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
CID 15234236
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide
CID 160522251
3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid
CID 83984491

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride (CID 142678890) is 3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride is Cl.O=C(O)CCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride?
The InChIKey is XHQLIHMZYCWOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3.ClH/c13-8-2-3-10-9(5-8)7(6-12-10)1-4-11(14)15;/h2-3,5-6,12-13H,1,4H2,(H,14,15);1H.
What are the key properties of 3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride?
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride has a molecular weight of 241.67 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 142678890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).