methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate

C12H14N2O6 — CID 81414362

IUPACmethyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1c(OC)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O6/c1-13(7-10(15)20-3)12(16)11-8(14(17)18)5-4-6-9(11)19-2/h4-6H,7H2,1-3H3
InChIKeyZDJVGETWVSRPNE-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.85
Rot. Bonds5

About methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate

methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate (PubChem CID 81414362) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate
PubChem CID81414362
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Namemethyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1c(OC)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O6/c1-13(7-10(15)20-3)12(16)11-8(14(17)18)5-4-6-9(11)19-2/h4-6H,7H2,1-3H3
InChIKeyZDJVGETWVSRPNE-UHFFFAOYSA-N
XLogP0.85
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate 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

methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
methyl 2-[(2-methoxy-5-nitrobenzoyl)-methylamino]acetate
CID 43407682
methyl 4-[methyl-(2-methyl-6-nitrobenzoyl)amino]butanoate
CID 60714670
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
methyl 2-[methyl-(3-methyl-2-nitrobenzoyl)amino]acetate
CID 43409751
N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
CID 83058004
2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-6-nitrobenzamide
CID 81414526
methyl 2-[methyl-[(2-methyl-3-nitrobenzoyl)carbamothioyl]amino]acetate
CID 18823132
methyl 2-[(2,5-difluoro-4-nitrobenzoyl)-methylamino]acetate
CID 115880321
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-6-nitrobenzamide
CID 81413714
2-[(3-methoxy-4-nitrobenzoyl)-methylamino]acetic acid
CID 115729869

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate (CID 81414362) is methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1c(OC)cccc1[N+](=O)[O-].
What is the InChIKey of methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate?
The InChIKey is ZDJVGETWVSRPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-13(7-10(15)20-3)12(16)11-8(14(17)18)5-4-6-9(11)19-2/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate?
methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate has a molecular weight of 282.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate is sourced from PubChem (CID 81414362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).