3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid

C19H23N3O3 — CID 67100143

IUPAC3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
SMILESNC(Cc1ccccc1)C(=O)O.NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H12N2O.C9H11NO2/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,5-6,12-13H,3-4,11H2;1-5,8H,6,10H2,(H,11,12)
InChIKeyOQFWCDAGHMETGK-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.02
Rot. Bonds5

About 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid

3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid (PubChem CID 67100143) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
PubChem CID67100143
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
SMILESNC(Cc1ccccc1)C(=O)O.NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H12N2O.C9H11NO2/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,5-6,12-13H,3-4,11H2;1-5,8H,6,10H2,(H,11,12)
InChIKeyOQFWCDAGHMETGK-UHFFFAOYSA-N
XLogP2.02
TPSA125.36 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
(2S)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 138734505
(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
CID 15234236
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 172849973
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;phenol
CID 160637775
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
CID 144798694
(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54530999
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride
CID 172802479
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid?
The IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid (CID 67100143) is 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid?
The canonical SMILES for 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid is NC(Cc1ccccc1)C(=O)O.NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid?
The InChIKey is OQFWCDAGHMETGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C9H11NO2/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,5-6,12-13H,3-4,11H2;1-5,8H,6,10H2,(H,11,12).
What are the key properties of 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid?
3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid is sourced from PubChem (CID 67100143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).