methyl 2-[(2-methylbenzoyl)amino]acetate

C11H13NO3 — CID 669124

IUPACmethyl 2-[(2-methylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1C
InChIInChI=1S/C11H13NO3/c1-8-5-3-4-6-9(8)11(14)12-7-10(13)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyMAMKIKKUMOLVSD-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.90
Rot. Bonds3

About methyl 2-[(2-methylbenzoyl)amino]acetate

methyl 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 669124) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylbenzoyl)amino]acetate
PubChem CID669124
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-[(2-methylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1C
InChIInChI=1S/C11H13NO3/c1-8-5-3-4-6-9(8)11(14)12-7-10(13)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyMAMKIKKUMOLVSD-UHFFFAOYSA-N
XLogP0.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methylbenzoyl)amino]acetate (CID 669124) is methyl 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methylbenzoyl)amino]acetate is COC(=O)CNC(=O)c1ccccc1C.
What is the InChIKey of methyl 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is MAMKIKKUMOLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-5-3-4-6-9(8)11(14)12-7-10(13)15-2/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of methyl 2-[(2-methylbenzoyl)amino]acetate?
methyl 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 207.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 669124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).