methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate

C10H12N2O5 — CID 171030688

IUPACmethyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate
SMILESCOC(=O)Cc1c(N)cc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O5/c1-16-6-3-8(11)7(5-10(13)17-2)9(4-6)12(14)15/h3-4H,5,11H2,1-2H3
InChIKeyCJGLYICRGMHYHS-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.90
Rot. Bonds4

About methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate

methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate (PubChem CID 171030688) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate
PubChem CID171030688
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Namemethyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate
SMILESCOC(=O)Cc1c(N)cc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O5/c1-16-6-3-8(11)7(5-10(13)17-2)9(4-6)12(14)15/h3-4H,5,11H2,1-2H3
InChIKeyCJGLYICRGMHYHS-UHFFFAOYSA-N
XLogP0.90
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-amino-6-methyl-4-nitrophenyl)acetate
CID 171030720
methyl 4-(2-amino-5-methoxy-3-nitrophenyl)but-3-ynoate
CID 170470352
ethyl 2-[2-(bromomethyl)-4-methoxy-6-nitrophenyl]acetate
CID 171018623
methyl 2-(3-amino-2-methyl-6-nitrophenyl)acetate
CID 171030723
2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol
CID 159513130
2-(2-bromo-4-methoxy-6-nitrophenyl)acetic acid
CID 171007604
methyl 4-(2-amino-5-methoxy-3-nitrophenyl)-3,4-dihydroxybutanoate
CID 171896493
2-(2-chloro-4-methoxy-6-nitrophenyl)acetic acid
CID 171002728
methyl 2-(4-amino-3-nitrophenyl)acetate
CID 54002717
methyl 2-[5-methoxy-2-(4-methoxy-2-nitrophenyl)phenyl]acetate
CID 164598415
methyl 2-[2-methoxy-4-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668032
methyl 2-(4-bromo-2-cyano-6-nitrophenyl)acetate
CID 134635231

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate?
The IUPAC name of methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate (CID 171030688) is methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate.
What is the SMILES notation for methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate?
The canonical SMILES for methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate is COC(=O)Cc1c(N)cc(OC)cc1[N+](=O)[O-].
What is the InChIKey of methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate?
The InChIKey is CJGLYICRGMHYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-16-6-3-8(11)7(5-10(13)17-2)9(4-6)12(14)15/h3-4H,5,11H2,1-2H3.
What are the key properties of methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate?
methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate has a molecular weight of 240.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-4-methoxy-6-nitrophenyl)acetate is sourced from PubChem (CID 171030688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).