2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate

C9H10NO6- — CID 163120158

IUPAC2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate
SMILESCCOC(=O)c1cc([O-])c(N(O)O)c(O)c1
InChIInChI=1S/C9H11NO6/c1-2-16-9(13)5-3-6(11)8(10(14)15)7(12)4-5/h3-4,11-12,14-15H,2H2,1H3/p-1
InChIKeyXAJQVBRSIRHKQT-UHFFFAOYSA-M
MW228.18 g/mol
LogP0.23
Rot. Bonds3

About 2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate

2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate (PubChem CID 163120158) has the molecular formula C9H10NO6- and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate.

Molecular Properties

Compound Name2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate
PubChem CID163120158
Molecular FormulaC9H10NO6-
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate
SMILESCCOC(=O)c1cc([O-])c(N(O)O)c(O)c1
InChIInChI=1S/C9H11NO6/c1-2-16-9(13)5-3-6(11)8(10(14)15)7(12)4-5/h3-4,11-12,14-15H,2H2,1H3/p-1
InChIKeyXAJQVBRSIRHKQT-UHFFFAOYSA-M
XLogP0.23
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
ethyl 4-bromo-3,5-dihydroxybenzoate
CID 57419684
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
ethyl 3-bromo-4,5-dihydroxybenzoate
CID 118096682
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
ethyl 3-bromo-4-fluoro-5-hydroxybenzoate
CID 131014971
butan-1-ol;ethyl 3,4,5-trihydroxybenzoate
CID 141464101
ethyl 4-bromo-3-fluoro-5-hydroxybenzoate
CID 131124712
ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate
CID 66920458
ethyl 8-hydroxyisoquinoline-6-carboxylate
CID 137117771
ethyl 3-bromo-5-hydroxybenzoate
CID 11708561

Frequently Asked Questions

What is the IUPAC name of 2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate?
The IUPAC name of 2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate (CID 163120158) is 2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate.
What is the SMILES notation for 2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate?
The canonical SMILES for 2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate is CCOC(=O)c1cc([O-])c(N(O)O)c(O)c1.
What is the InChIKey of 2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate?
The InChIKey is XAJQVBRSIRHKQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO6/c1-2-16-9(13)5-3-6(11)8(10(14)15)7(12)4-5/h3-4,11-12,14-15H,2H2,1H3/p-1.
What are the key properties of 2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate?
2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate has a molecular weight of 228.18 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxyamino)-5-ethoxycarbonyl-3-hydroxyphenolate is sourced from PubChem (CID 163120158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).