methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride

C13H19ClN2O3 — CID 119337473

IUPACmethyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride
SMILESCOC(=O)c1cc(NC(=O)C(C)(C)N)ccc1C.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-8-5-6-9(7-10(8)11(16)18-4)15-12(17)13(2,3)14;/h5-7H,14H2,1-4H3,(H,15,17);1H
InChIKeyAQWRBTQFHDVPFR-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.88
Rot. Bonds3

About methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride

methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride (PubChem CID 119337473) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride
PubChem CID119337473
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Namemethyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride
SMILESCOC(=O)c1cc(NC(=O)C(C)(C)N)ccc1C.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-8-5-6-9(7-10(8)11(16)18-4)15-12(17)13(2,3)14;/h5-7H,14H2,1-4H3,(H,15,17);1H
InChIKeyAQWRBTQFHDVPFR-UHFFFAOYSA-N
XLogP1.88
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 55245402
(3-methoxycarbonyl-4-methylphenyl)carbamic acid
CID 175178489
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
methyl 2-methyl-5-(methylsulfanylamino)benzoate
CID 144982540
5-(2,2-dimethylpropanoylamino)-2-methylbenzoic acid
CID 63652956
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
5-[(3-amino-2,2-dimethylpropanoyl)amino]-2-methylbenzoic acid
CID 113307660
bromo 5-acetamido-2-methylbenzoate
CID 174576155
2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 63654554
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride?
The IUPAC name of methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride (CID 119337473) is methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride.
What is the SMILES notation for methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride?
The canonical SMILES for methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride is COC(=O)c1cc(NC(=O)C(C)(C)N)ccc1C.Cl.
What is the InChIKey of methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride?
The InChIKey is AQWRBTQFHDVPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-8-5-6-9(7-10(8)11(16)18-4)15-12(17)13(2,3)14;/h5-7H,14H2,1-4H3,(H,15,17);1H.
What are the key properties of methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride?
methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride is sourced from PubChem (CID 119337473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).