ethyl 2-amino-3-phenylpropanoate;dihydrochloride

C11H17Cl2NO2 — CID 141026874

IUPACethyl 2-amino-3-phenylpropanoate;dihydrochloride
SMILESCCOC(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C11H15NO2.2ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;;/h3-7,10H,2,8,12H2,1H3;2*1H
InChIKeyOSXNQZQVYGPUKC-UHFFFAOYSA-N
MW266.17 g/mol
LogP1.96
Rot. Bonds4

About ethyl 2-amino-3-phenylpropanoate;dihydrochloride

ethyl 2-amino-3-phenylpropanoate;dihydrochloride (PubChem CID 141026874) has the molecular formula C11H17Cl2NO2 and a molecular weight of 266.17 g/mol. Its IUPAC name is ethyl 2-amino-3-phenylpropanoate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-phenylpropanoate;dihydrochloride
PubChem CID141026874
Molecular FormulaC11H17Cl2NO2
Molecular Weight266.17 g/mol
Exact Mass265.06
IUPAC Nameethyl 2-amino-3-phenylpropanoate;dihydrochloride
SMILESCCOC(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C11H15NO2.2ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;;/h3-7,10H,2,8,12H2,1H3;2*1H
InChIKeyOSXNQZQVYGPUKC-UHFFFAOYSA-N
XLogP1.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-amino-3-phenylpropanoate;dihydrochloride 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 (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl 2-amino-3-phenylpropanoate;isocyanic acid
CID 175019136
(2S)-2-amino-3-benzylbutanedioic acid;ethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 89183775
ethyl 2-amino-3-(4-phenylsulfanylphenyl)propanoate;hydrochloride
CID 70109175
butyl (2S)-2-amino-3-phenylpropanoate
CID 11402655
benzyl 4-[(2S)-2-amino-3-ethoxy-3-oxopropyl]benzoate
CID 54200487
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
ethanol;methyl 2-amino-3-phenylpropanoate;hydrochloride
CID 174956794
benzyl (2S)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 139716246
ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride
CID 135364891
docosyl (2S)-2-amino-3-phenylpropanoate
CID 139923900

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-phenylpropanoate;dihydrochloride?
The IUPAC name of ethyl 2-amino-3-phenylpropanoate;dihydrochloride (CID 141026874) is ethyl 2-amino-3-phenylpropanoate;dihydrochloride.
What is the SMILES notation for ethyl 2-amino-3-phenylpropanoate;dihydrochloride?
The canonical SMILES for ethyl 2-amino-3-phenylpropanoate;dihydrochloride is CCOC(=O)C(N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of ethyl 2-amino-3-phenylpropanoate;dihydrochloride?
The InChIKey is OSXNQZQVYGPUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.2ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;;/h3-7,10H,2,8,12H2,1H3;2*1H.
What are the key properties of ethyl 2-amino-3-phenylpropanoate;dihydrochloride?
ethyl 2-amino-3-phenylpropanoate;dihydrochloride has a molecular weight of 266.17 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-phenylpropanoate;dihydrochloride is sourced from PubChem (CID 141026874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).