ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride

C13H19ClN2O3 — CID 120667027

IUPACethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)C(N)c1ccc(C)cc1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-3-18-11(16)8-15-13(17)12(14)10-6-4-9(2)5-7-10;/h4-7,12H,3,8,14H2,1-2H3,(H,15,17);1H
InChIKeyDBPVJWMWTXIOMK-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.10
Rot. Bonds5

About ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride

ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride (PubChem CID 120667027) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
PubChem CID120667027
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Nameethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)C(N)c1ccc(C)cc1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-3-18-11(16)8-15-13(17)12(14)10-6-4-9(2)5-7-10;/h4-7,12H,3,8,14H2,1-2H3,(H,15,17);1H
InChIKeyDBPVJWMWTXIOMK-UHFFFAOYSA-N
XLogP1.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-amino-2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 120666753
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-amino-2-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide;hydrochloride
CID 120667266
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669291
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106313002
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-amino-N-(3-methylpentan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667739

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride (CID 120667027) is ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride is CCOC(=O)CNC(=O)C(N)c1ccc(C)cc1.Cl.
What is the InChIKey of ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride?
The InChIKey is DBPVJWMWTXIOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-3-18-11(16)8-15-13(17)12(14)10-6-4-9(2)5-7-10;/h4-7,12H,3,8,14H2,1-2H3,(H,15,17);1H.
What are the key properties of ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride?
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride is sourced from PubChem (CID 120667027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).