2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

C14H19Cl3N2O3 — CID 119913222

IUPAC2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCC(NC(=O)CN(C)C(C)C(=O)O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H18Cl2N2O3.ClH/c1-8(10-4-5-11(15)12(16)6-10)17-13(19)7-18(3)9(2)14(20)21;/h4-6,8-9H,7H2,1-3H3,(H,17,19)(H,20,21);1H
InChIKeyBTHXXJFLTSDCTR-UHFFFAOYSA-N
MW369.68 g/mol
LogP3.00
Rot. Bonds6

About 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (PubChem CID 119913222) has the molecular formula C14H19Cl3N2O3 and a molecular weight of 369.68 g/mol. Its IUPAC name is 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
PubChem CID119913222
Molecular FormulaC14H19Cl3N2O3
Molecular Weight369.68 g/mol
Exact Mass368.05
IUPAC Name2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCC(NC(=O)CN(C)C(C)C(=O)O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H18Cl2N2O3.ClH/c1-8(10-4-5-11(15)12(16)6-10)17-13(19)7-18(3)9(2)14(20)21;/h4-6,8-9H,7H2,1-3H3,(H,17,19)(H,20,21);1H
InChIKeyBTHXXJFLTSDCTR-UHFFFAOYSA-N
XLogP3.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;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

2-[cyclohexyl(methyl)amino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 42913403
5-[1-(3,4-dichlorophenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62965218
2-[methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]propanoic acid;hydrochloride
CID 119913466
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386
2-[methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]propanoic acid;hydrochloride
CID 119912479
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 41193300
2-[methyl-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]amino]propanoic acid
CID 119913156
N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 62839086
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 24664138
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (CID 119913222) is 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is CC(NC(=O)CN(C)C(C)C(=O)O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The InChIKey is BTHXXJFLTSDCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3.ClH/c1-8(10-4-5-11(15)12(16)6-10)17-13(19)7-18(3)9(2)14(20)21;/h4-6,8-9H,7H2,1-3H3,(H,17,19)(H,20,21);1H.
What are the key properties of 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride has a molecular weight of 369.68 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119913222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).