ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride

C13H17ClN2O3 — CID 22402659

IUPACethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1cc2cc(O)ccc2[nH]1.Cl
InChIInChI=1S/C13H16N2O3.ClH/c1-2-18-13(17)11(14)7-9-5-8-6-10(16)3-4-12(8)15-9;/h3-6,11,15-16H,2,7,14H2,1H3;1H
InChIKeyQMJRZXQIRPSONR-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.73
Rot. Bonds4

About ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride

ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride (PubChem CID 22402659) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride
PubChem CID22402659
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Nameethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1cc2cc(O)ccc2[nH]1.Cl
InChIInChI=1S/C13H16N2O3.ClH/c1-2-18-13(17)11(14)7-9-5-8-6-10(16)3-4-12(8)15-9;/h3-6,11,15-16H,2,7,14H2,1H3;1H
InChIKeyQMJRZXQIRPSONR-UHFFFAOYSA-N
XLogP1.73
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
ethyl 2-amino-3-(2-bromo-5-hydroxyphenyl)propanoate
CID 170884939
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
2-(aminooxymethyl)-1H-indol-5-ol
CID 117195343
2-(aminomethyl)-1H-indol-5-ol
CID 14906013
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
ethyl 2-amino-3-[4-hydroxy-2-(1-hydroxyethyl)phenyl]propanoate
CID 141446103
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195358
methyl 3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate
CID 18947616
2-(5-hydroxy-1H-indol-2-yl)acetaldehyde
CID 22134437
2-(methylaminomethyl)-1H-indol-5-ol
CID 14906015

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride (CID 22402659) is ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride is CCOC(=O)C(N)Cc1cc2cc(O)ccc2[nH]1.Cl.
What is the InChIKey of ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride?
The InChIKey is QMJRZXQIRPSONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3.ClH/c1-2-18-13(17)11(14)7-9-5-8-6-10(16)3-4-12(8)15-9;/h3-6,11,15-16H,2,7,14H2,1H3;1H.
What are the key properties of ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride?
ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride has a molecular weight of 284.74 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(5-hydroxy-1H-indol-2-yl)propanoate;hydrochloride is sourced from PubChem (CID 22402659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).