methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride

C14H21ClN2O3 — CID 120609255

IUPACmethyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-14(2,13(18)19-3)16-12(17)9-8-10-6-4-5-7-11(10)15;/h4-7H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyRGKDYMPPEBOOJD-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.69
Rot. Bonds5

About methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride

methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride (PubChem CID 120609255) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride
PubChem CID120609255
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Namemethyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-14(2,13(18)19-3)16-12(17)9-8-10-6-4-5-7-11(10)15;/h4-7H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyRGKDYMPPEBOOJD-UHFFFAOYSA-N
XLogP1.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[2-(2-methoxyphenyl)propan-2-yl]propanamide;hydrochloride
CID 120610417
3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
CID 65042808
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
CID 120609736
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride
CID 120610929
methyl 2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoate;hydrochloride
CID 120609137
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610551
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610225
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride (CID 120609255) is methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride is COC(=O)C(C)(C)NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride?
The InChIKey is RGKDYMPPEBOOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-14(2,13(18)19-3)16-12(17)9-8-10-6-4-5-7-11(10)15;/h4-7H,8-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride?
methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-aminophenyl)propanoylamino]-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 120609255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).