methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate

C11H14N2O4 — CID 81090884

IUPACmethyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C11H14N2O4/c1-16-9-4-7(3-8(12)5-9)11(15)13-6-10(14)17-2/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyDXIGACTVHZTVGF-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.18
Rot. Bonds4

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

methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate (PubChem CID 81090884) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
PubChem CID81090884
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C11H14N2O4/c1-16-9-4-7(3-8(12)5-9)11(15)13-6-10(14)17-2/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyDXIGACTVHZTVGF-UHFFFAOYSA-N
XLogP0.18
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
3-amino-N-but-3-ynyl-5-methoxybenzamide
CID 81091765
methyl 2-[(3-amino-5-methoxybenzoyl)-methylamino]acetate
CID 81090418
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide
CID 81091867
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
CID 81090806
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
CID 115597742

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate (CID 81090884) is methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate is COC(=O)CNC(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate?
The InChIKey is DXIGACTVHZTVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-9-4-7(3-8(12)5-9)11(15)13-6-10(14)17-2/h3-5H,6,12H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate?
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate has a molecular weight of 238.24 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 81090884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).