3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid

C20H20N2O3 — CID 149002729

IUPAC3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1c(CC2CNc3ccccc32)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3/c23-19(20(24)25)10-15-14-6-2-4-8-17(14)22-18(15)9-12-11-21-16-7-3-1-5-13(12)16/h1-8,12,19,21-23H,9-11H2,(H,24,25)
InChIKeyPZYYIBXSLNNDLU-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.91
Rot. Bonds5

About 3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid

3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid (PubChem CID 149002729) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid
PubChem CID149002729
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1c(CC2CNc3ccccc32)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3/c23-19(20(24)25)10-15-14-6-2-4-8-17(14)22-18(15)9-12-11-21-16-7-3-1-5-13(12)16/h1-8,12,19,21-23H,9-11H2,(H,24,25)
InChIKeyPZYYIBXSLNNDLU-UHFFFAOYSA-N
XLogP2.91
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid
CID 142164854
3-(2,3-dihydro-1H-indol-3-yl)-2,2-dimethylpropanoic acid
CID 117199439
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80751144
(2S)-2-hydroxy-3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
CID 163185799
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927350
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 80573900
N-(1-cyclopentylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573407
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571757
9H-carbazole;carbonic acid
CID 67577328
3-(deuterioamino)-4-(2,3-dihydro-1H-indol-3-yl)butan-2-one
CID 158622438

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid?
The IUPAC name of 3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid (CID 149002729) is 3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid is O=C(O)C(O)Cc1c(CC2CNc3ccccc32)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid?
The InChIKey is PZYYIBXSLNNDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(20(24)25)10-15-14-6-2-4-8-17(14)22-18(15)9-12-11-21-16-7-3-1-5-13(12)16/h1-8,12,19,21-23H,9-11H2,(H,24,25).
What are the key properties of 3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid?
3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid has a molecular weight of 336.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1H-indol-3-ylmethyl)-1H-indol-3-yl]-2-hydroxypropanoic acid is sourced from PubChem (CID 149002729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).