2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate

C10H11N4O5- — CID 23569681

IUPAC2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate
SMILESCOc1ccc([N+](=O)[O-])cc1/N=N/N(C)CC(=O)[O-]
InChIInChI=1S/C10H12N4O5/c1-13(6-10(15)16)12-11-8-5-7(14(17)18)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,15,16)/p-1/b12-11+
InChIKeyLBAZFAYHQPMXAN-VAWYXSNFSA-M
MW267.22 g/mol
LogP0.28
Rot. Bonds6

About 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate

2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate (PubChem CID 23569681) has the molecular formula C10H11N4O5- and a molecular weight of 267.22 g/mol. Its IUPAC name is 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate.

Molecular Properties

Compound Name2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate
PubChem CID23569681
Molecular FormulaC10H11N4O5-
Molecular Weight267.22 g/mol
Exact Mass267.07
IUPAC Name2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate
SMILESCOc1ccc([N+](=O)[O-])cc1/N=N/N(C)CC(=O)[O-]
InChIInChI=1S/C10H12N4O5/c1-13(6-10(15)16)12-11-8-5-7(14(17)18)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,15,16)/p-1/b12-11+
InChIKeyLBAZFAYHQPMXAN-VAWYXSNFSA-M
XLogP0.28
TPSA120.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate?
The IUPAC name of 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate (CID 23569681) is 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate.
What is the SMILES notation for 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate?
The canonical SMILES for 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate is COc1ccc([N+](=O)[O-])cc1/N=N/N(C)CC(=O)[O-].
What is the InChIKey of 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate?
The InChIKey is LBAZFAYHQPMXAN-VAWYXSNFSA-M. The full InChI is InChI=1S/C10H12N4O5/c1-13(6-10(15)16)12-11-8-5-7(14(17)18)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,15,16)/p-1/b12-11+.
What are the key properties of 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate?
2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate has a molecular weight of 267.22 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetate is sourced from PubChem (CID 23569681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).