nitro 2-(2,3-dimethoxyanilino)acetate

C10H12N2O6 — CID 67271700

IUPACnitro 2-(2,3-dimethoxyanilino)acetate
SMILESCOc1cccc(NCC(=O)O[N+](=O)[O-])c1OC
InChIInChI=1S/C10H12N2O6/c1-16-8-5-3-4-7(10(8)17-2)11-6-9(13)18-12(14)15/h3-5,11H,6H2,1-2H3
InChIKeyACWFSVUOZQIHNU-UHFFFAOYSA-N
MW256.21 g/mol
LogP0.85
Rot. Bonds6

About nitro 2-(2,3-dimethoxyanilino)acetate

nitro 2-(2,3-dimethoxyanilino)acetate (PubChem CID 67271700) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is nitro 2-(2,3-dimethoxyanilino)acetate.

Molecular Properties

Compound Namenitro 2-(2,3-dimethoxyanilino)acetate
PubChem CID67271700
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Namenitro 2-(2,3-dimethoxyanilino)acetate
SMILESCOc1cccc(NCC(=O)O[N+](=O)[O-])c1OC
InChIInChI=1S/C10H12N2O6/c1-16-8-5-3-4-7(10(8)17-2)11-6-9(13)18-12(14)15/h3-5,11H,6H2,1-2H3
InChIKeyACWFSVUOZQIHNU-UHFFFAOYSA-N
XLogP0.85
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethoxyanilino)ethanol
CID 174734615
N-(2,3-dimethoxyphenyl)-3-oxobutanamide
CID 53434807
(2,3-dimethoxyphenyl)hydrazine;oxalic acid
CID 138619580
hydroxycarbamoyl 2-(2-methoxyanilino)acetate
CID 175061449
2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26525399
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
CID 66808047
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate
CID 67865616
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381

Frequently Asked Questions

What is the IUPAC name of nitro 2-(2,3-dimethoxyanilino)acetate?
The IUPAC name of nitro 2-(2,3-dimethoxyanilino)acetate (CID 67271700) is nitro 2-(2,3-dimethoxyanilino)acetate.
What is the SMILES notation for nitro 2-(2,3-dimethoxyanilino)acetate?
The canonical SMILES for nitro 2-(2,3-dimethoxyanilino)acetate is COc1cccc(NCC(=O)O[N+](=O)[O-])c1OC.
What is the InChIKey of nitro 2-(2,3-dimethoxyanilino)acetate?
The InChIKey is ACWFSVUOZQIHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-16-8-5-3-4-7(10(8)17-2)11-6-9(13)18-12(14)15/h3-5,11H,6H2,1-2H3.
What are the key properties of nitro 2-(2,3-dimethoxyanilino)acetate?
nitro 2-(2,3-dimethoxyanilino)acetate has a molecular weight of 256.21 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for nitro 2-(2,3-dimethoxyanilino)acetate is sourced from PubChem (CID 67271700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).