methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

C12H15NO5 — CID 669355

IUPACmethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H15NO5/c1-16-9-4-8(5-10(6-9)17-2)12(15)13-7-11(14)18-3/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeySBILFUYROVMQJR-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.61
Rot. Bonds5

About methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 669355) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID669355
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namemethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H15NO5/c1-16-9-4-8(5-10(6-9)17-2)12(15)13-7-11(14)18-3/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeySBILFUYROVMQJR-UHFFFAOYSA-N
XLogP0.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 669355) is methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is COC(=O)CNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is SBILFUYROVMQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-16-9-4-8(5-10(6-9)17-2)12(15)13-7-11(14)18-3/h4-6H,7H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 253.25 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 669355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).