ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride

C11H16ClNO3 — CID 2724939

IUPACethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;/h3-6,10,13H,2,7,12H2,1H3;1H/t10-;/m0./s1
InChIKeyBQULAXAVRFIAHN-PPHPATTJSA-N
MW245.71 g/mol
LogP1.25
Rot. Bonds4

About ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride

ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride (PubChem CID 2724939) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
PubChem CID2724939
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Nameethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;/h3-6,10,13H,2,7,12H2,1H3;1H/t10-;/m0./s1
InChIKeyBQULAXAVRFIAHN-PPHPATTJSA-N
XLogP1.25
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2S)-2-amino-3-(4-hydroxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride?
The IUPAC name of ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride (CID 2724939) is ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride?
The canonical SMILES for ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride is CCOC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl.
What is the InChIKey of ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride?
The InChIKey is BQULAXAVRFIAHN-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;/h3-6,10,13H,2,7,12H2,1H3;1H/t10-;/m0./s1.
What are the key properties of ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride?
ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride is sourced from PubChem (CID 2724939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).