methyl 3-[benzoyl(2-methylpropyl)amino]propanoate

C15H21NO3 — CID 60860018

IUPACmethyl 3-[benzoyl(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-12(2)11-16(10-9-14(17)19-3)15(18)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyIHNNJLJLLZCANY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.35
Rot. Bonds6

About methyl 3-[benzoyl(2-methylpropyl)amino]propanoate

methyl 3-[benzoyl(2-methylpropyl)amino]propanoate (PubChem CID 60860018) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-[benzoyl(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzoyl(2-methylpropyl)amino]propanoate
PubChem CID60860018
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-[benzoyl(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-12(2)11-16(10-9-14(17)19-3)15(18)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyIHNNJLJLLZCANY-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-methylpropyl-[4-(methylsulfanylmethyl)benzoyl]amino]propanoate
CID 87009581
methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate
CID 52663836
methyl 3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-(2-methylpropyl)amino]propanoate
CID 55891926
methyl 3-[(2-bromopyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
CID 103752528
3-[(3-fluorobenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 82324807
methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]-(2-methylpropyl)amino]propanoate
CID 55820096
methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
CID 61008740
methyl 3-[benzyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55513252
methyl 3-[(2-bromo-5-fluorobenzoyl)-(2-methylpropyl)amino]propanoate
CID 60857728
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
methyl 3-[[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-(2-methylpropyl)amino]propanoate
CID 55890650
methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate
CID 134059038

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzoyl(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[benzoyl(2-methylpropyl)amino]propanoate (CID 60860018) is methyl 3-[benzoyl(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[benzoyl(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[benzoyl(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)c1ccccc1.
What is the InChIKey of methyl 3-[benzoyl(2-methylpropyl)amino]propanoate?
The InChIKey is IHNNJLJLLZCANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(2)11-16(10-9-14(17)19-3)15(18)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3.
What are the key properties of methyl 3-[benzoyl(2-methylpropyl)amino]propanoate?
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzoyl(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 60860018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).