2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride

C11H18Cl2N2O2 — CID 22603322

IUPAC2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride
SMILESCCNc1ccc(CC(N)C(=O)O)cc1.Cl.Cl
InChIInChI=1S/C11H16N2O2.2ClH/c1-2-13-9-5-3-8(4-6-9)7-10(12)11(14)15;;/h3-6,10,13H,2,7,12H2,1H3,(H,14,15);2*1H
InChIKeyIABVOBFYOWBOPI-UHFFFAOYSA-N
MW281.18 g/mol
LogP1.92
Rot. Bonds5

About 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride

2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride (PubChem CID 22603322) has the molecular formula C11H18Cl2N2O2 and a molecular weight of 281.18 g/mol. Its IUPAC name is 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride
PubChem CID22603322
Molecular FormulaC11H18Cl2N2O2
Molecular Weight281.18 g/mol
Exact Mass280.07
IUPAC Name2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride
SMILESCCNc1ccc(CC(N)C(=O)O)cc1.Cl.Cl
InChIInChI=1S/C11H16N2O2.2ClH/c1-2-13-9-5-3-8(4-6-9)7-10(12)11(14)15;;/h3-6,10,13H,2,7,12H2,1H3,(H,14,15);2*1H
InChIKeyIABVOBFYOWBOPI-UHFFFAOYSA-N
XLogP1.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;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

2-amino-3-[4-(2-oxopropylamino)phenyl]propanoic acid;ethane
CID 145486712
2-amino-3-[4-(2-methylbutan-2-ylamino)phenyl]propanoic acid
CID 22603295
(2S)-2-amino-3-[4-(benzylamino)phenyl]propanoic acid
CID 59773787
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-amino-3-[4-[[3-(ethylamino)-3-methoxypropyl]amino]phenyl]propanoic acid
CID 143283889
(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid
CID 66819935
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid
CID 130323270
2-amino-3-[4-(diethylamino)phenyl]propanoic acid;dihydrochloride
CID 18314886
(2S)-2-amino-3-[4-(hydroxycarbamoylamino)phenyl]propanoic acid
CID 87167092
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride?
The IUPAC name of 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride (CID 22603322) is 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride is CCNc1ccc(CC(N)C(=O)O)cc1.Cl.Cl.
What is the InChIKey of 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride?
The InChIKey is IABVOBFYOWBOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.2ClH/c1-2-13-9-5-3-8(4-6-9)7-10(12)11(14)15;;/h3-6,10,13H,2,7,12H2,1H3,(H,14,15);2*1H.
What are the key properties of 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride?
2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride has a molecular weight of 281.18 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride is sourced from PubChem (CID 22603322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).