3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride

C11H14ClNO3 — CID 71450004

IUPAC3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCC1CNc2cccc(O)c21
InChIInChI=1S/C11H13NO3.ClH/c13-9-3-1-2-8-11(9)7(6-12-8)4-5-10(14)15;/h1-3,7,12-13H,4-6H2,(H,14,15);1H
InChIKeyCBWIDKNJXANTIQ-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.19
Rot. Bonds3

About 3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride

3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride (PubChem CID 71450004) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride
PubChem CID71450004
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCC1CNc2cccc(O)c21
InChIInChI=1S/C11H13NO3.ClH/c13-9-3-1-2-8-11(9)7(6-12-8)4-5-10(14)15;/h1-3,7,12-13H,4-6H2,(H,14,15);1H
InChIKeyCBWIDKNJXANTIQ-UHFFFAOYSA-N
XLogP2.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride (CID 71450004) is 3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride is Cl.O=C(O)CCC1CNc2cccc(O)c21.
What is the InChIKey of 3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride?
The InChIKey is CBWIDKNJXANTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c13-9-3-1-2-8-11(9)7(6-12-8)4-5-10(14)15;/h1-3,7,12-13H,4-6H2,(H,14,15);1H.
What are the key properties of 3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride?
3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 71450004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).