2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid

C11H11NO4 — CID 13116553

IUPAC2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
SMILESO=C(O)C(O)COc1cccc2[nH]ccc12
InChIInChI=1S/C11H11NO4/c13-9(11(14)15)6-16-10-3-1-2-8-7(10)4-5-12-8/h1-5,9,12-13H,6H2,(H,14,15)
InChIKeyCGIBIDSEBHNOQJ-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.99
Rot. Bonds4

About 2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid

2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid (PubChem CID 13116553) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
PubChem CID13116553
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
SMILESO=C(O)C(O)COc1cccc2[nH]ccc12
InChIInChI=1S/C11H11NO4/c13-9(11(14)15)6-16-10-3-1-2-8-7(10)4-5-12-8/h1-5,9,12-13H,6H2,(H,14,15)
InChIKeyCGIBIDSEBHNOQJ-UHFFFAOYSA-N
XLogP0.99
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-but-2-enedioic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 6443036
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
2-[2-hydroxy-3-(1H-indol-4-yloxy)propoxy]benzonitrile
CID 75432801
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 67681123
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid
CID 19610469
1-(1H-indol-4-yloxy)-3-(3-nitrophenoxy)propan-2-ol
CID 109413074
1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol
CID 166212862
(2S)-1-(3,3-diphenylpyrrolidin-1-yl)-3-(1H-indol-4-yloxy)propan-2-ol;oxalic acid
CID 131719694
4-(3-methylbutoxy)-1H-indole
CID 141124794
2-(1H-indol-4-yloxy)-N-(2-phenylethyl)acetamide
CID 42506850

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid?
The IUPAC name of 2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid (CID 13116553) is 2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid is O=C(O)C(O)COc1cccc2[nH]ccc12.
What is the InChIKey of 2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid?
The InChIKey is CGIBIDSEBHNOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-9(11(14)15)6-16-10-3-1-2-8-7(10)4-5-12-8/h1-5,9,12-13H,6H2,(H,14,15).
What are the key properties of 2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid?
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid has a molecular weight of 221.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid is sourced from PubChem (CID 13116553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).