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

C11H16ClNO3 — CID 86133997

IUPACethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1ccccc1O.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-2-15-11(14)9(12)7-8-5-3-4-6-10(8)13;/h3-6,9,13H,2,7,12H2,1H3;1H
InChIKeyNCPWCEGEGMBSRU-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.25
Rot. Bonds4

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

ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride (PubChem CID 86133997) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
PubChem CID86133997
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Nameethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1ccccc1O.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-2-15-11(14)9(12)7-8-5-3-4-6-10(8)13;/h3-6,9,13H,2,7,12H2,1H3;1H
InChIKeyNCPWCEGEGMBSRU-UHFFFAOYSA-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 2-amino-3-(2-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

Related Compounds

ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 62962945
ethyl (2S)-2-amino-3-(2-hydroxy-5-nitrophenyl)propanoate
CID 3088540
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate
CID 170885706
ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
CID 66518197
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride (CID 86133997) is ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride is CCOC(=O)C(N)Cc1ccccc1O.Cl.
What is the InChIKey of ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride?
The InChIKey is NCPWCEGEGMBSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-2-15-11(14)9(12)7-8-5-3-4-6-10(8)13;/h3-6,9,13H,2,7,12H2,1H3;1H.
What are the key properties of ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride?
ethyl 2-amino-3-(2-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 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride is sourced from PubChem (CID 86133997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).