2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid

C14H18N2O6 — CID 119346726

IUPAC2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid
SMILESCNC(=O)COc1ccc(C(=O)N(C)CC(=O)O)cc1OC
InChIInChI=1S/C14H18N2O6/c1-15-12(17)8-22-10-5-4-9(6-11(10)21-3)14(20)16(2)7-13(18)19/h4-6H,7-8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyWWHDRZGAUSCJBY-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.02
Rot. Bonds7

About 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid

2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid (PubChem CID 119346726) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid
PubChem CID119346726
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid
SMILESCNC(=O)COc1ccc(C(=O)N(C)CC(=O)O)cc1OC
InChIInChI=1S/C14H18N2O6/c1-15-12(17)8-22-10-5-4-9(6-11(10)21-3)14(20)16(2)7-13(18)19/h4-6H,7-8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyWWHDRZGAUSCJBY-UHFFFAOYSA-N
XLogP-0.02
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
CID 110465928
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 24709160
N-(2-aminoethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
CID 120886264
2-[[3-(difluoromethoxy)-4-methoxybenzoyl]-methylamino]acetic acid
CID 119171808
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
N-ethyl-N-(4-fluorophenyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 86827874
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide
CID 86910385
2-[(3-methoxy-4-nitrobenzoyl)-methylamino]acetic acid
CID 115729869
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200500
2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192734

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid (CID 119346726) is 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid is CNC(=O)COc1ccc(C(=O)N(C)CC(=O)O)cc1OC.
What is the InChIKey of 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid?
The InChIKey is WWHDRZGAUSCJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c1-15-12(17)8-22-10-5-4-9(6-11(10)21-3)14(20)16(2)7-13(18)19/h4-6H,7-8H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid?
2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid has a molecular weight of 310.31 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid is sourced from PubChem (CID 119346726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).