2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid

C10H12N4O5 — CID 23569682

IUPAC2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid
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)/b12-11+
InChIKeyLBAZFAYHQPMXAN-VAWYXSNFSA-N
MW268.23 g/mol
LogP1.62
Rot. Bonds6

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

2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid (PubChem CID 23569682) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid
PubChem CID23569682
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid
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)/b12-11+
InChIKeyLBAZFAYHQPMXAN-VAWYXSNFSA-N
XLogP1.62
TPSA117.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]acetic acid?
The IUPAC name of 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid (CID 23569682) is 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid 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]acetic acid?
The InChIKey is LBAZFAYHQPMXAN-VAWYXSNFSA-N. 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)/b12-11+.
What are the key properties of 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid?
2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-5-nitrophenyl)diazenyl]-methylamino]acetic acid is sourced from PubChem (CID 23569682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).