methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate

C14H17NO3 — CID 43409538

IUPACmethyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)C1CC1C
InChIInChI=1S/C14H17NO3/c1-9-8-11(9)13(16)15(2)12-7-5-4-6-10(12)14(17)18-3/h4-7,9,11H,8H2,1-3H3
InChIKeyZKCHABFIKIIUSF-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.09
Rot. Bonds3

About methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate

methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate (PubChem CID 43409538) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
PubChem CID43409538
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)C1CC1C
InChIInChI=1S/C14H17NO3/c1-9-8-11(9)13(16)15(2)12-7-5-4-6-10(12)14(17)18-3/h4-7,9,11H,8H2,1-3H3
InChIKeyZKCHABFIKIIUSF-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate?
The IUPAC name of methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate (CID 43409538) is methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)C1CC1C.
What is the InChIKey of methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate?
The InChIKey is ZKCHABFIKIIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-8-11(9)13(16)15(2)12-7-5-4-6-10(12)14(17)18-3/h4-7,9,11H,8H2,1-3H3.
What are the key properties of methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate?
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate has a molecular weight of 247.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate is sourced from PubChem (CID 43409538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).