2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid

C14H10N2O6 — CID 5487975

IUPAC2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid
SMILESNc1c(O)cc2c(c1C(=O)O)Nc1c(cccc1C(=O)O)O2
InChIInChI=1S/C14H10N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4,16-17H,15H2,(H,18,19)(H,20,21)
InChIKeyNQTBTSGHHAQCGN-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.22
Rot. Bonds2

About 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid

2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid (PubChem CID 5487975) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid
PubChem CID5487975
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid
SMILESNc1c(O)cc2c(c1C(=O)O)Nc1c(cccc1C(=O)O)O2
InChIInChI=1S/C14H10N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4,16-17H,15H2,(H,18,19)(H,20,21)
InChIKeyNQTBTSGHHAQCGN-UHFFFAOYSA-N
XLogP2.22
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid?
The IUPAC name of 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid (CID 5487975) is 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid.
What is the SMILES notation for 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid?
The canonical SMILES for 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid is Nc1c(O)cc2c(c1C(=O)O)Nc1c(cccc1C(=O)O)O2.
What is the InChIKey of 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid?
The InChIKey is NQTBTSGHHAQCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4,16-17H,15H2,(H,18,19)(H,20,21).
What are the key properties of 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid?
2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid has a molecular weight of 302.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid is sourced from PubChem (CID 5487975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).