2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate

C17H17N2O5- — CID 58019979

IUPAC2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate
SMILESO=C1CCCN1Cc1ccc(O)c(-c2cccc(N(O)O)c2)c1[O-]
InChIInChI=1S/C17H18N2O5/c20-14-7-6-12(10-18-8-2-5-15(18)21)17(22)16(14)11-3-1-4-13(9-11)19(23)24/h1,3-4,6-7,9,20,22-24H,2,5,8,10H2/p-1
InChIKeyRXMAJMISDWAUFZ-UHFFFAOYSA-M
MW329.33 g/mol
LogP1.84
Rot. Bonds4

About 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate

2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate (PubChem CID 58019979) has the molecular formula C17H17N2O5- and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate.

Molecular Properties

Compound Name2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate
PubChem CID58019979
Molecular FormulaC17H17N2O5-
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate
SMILESO=C1CCCN1Cc1ccc(O)c(-c2cccc(N(O)O)c2)c1[O-]
InChIInChI=1S/C17H18N2O5/c20-14-7-6-12(10-18-8-2-5-15(18)21)17(22)16(14)11-3-1-4-13(9-11)19(23)24/h1,3-4,6-7,9,20,22-24H,2,5,8,10H2/p-1
InChIKeyRXMAJMISDWAUFZ-UHFFFAOYSA-M
XLogP1.84
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(dihydroxyamino)phenyl]-3-methoxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate
CID 58020241
1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one
CID 88611873
1-[(2,3-dihydroxyphenyl)methyl]azepan-2-one
CID 134821259
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid
CID 118454086
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
1-[(2-hydroxy-3-methylphenyl)methyl]azepan-2-one
CID 71504914
1,1-diethyl-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052600
N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 4986891
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 64770768

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate?
The IUPAC name of 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate (CID 58019979) is 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate.
What is the SMILES notation for 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate?
The canonical SMILES for 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate is O=C1CCCN1Cc1ccc(O)c(-c2cccc(N(O)O)c2)c1[O-].
What is the InChIKey of 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate?
The InChIKey is RXMAJMISDWAUFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18N2O5/c20-14-7-6-12(10-18-8-2-5-15(18)21)17(22)16(14)11-3-1-4-13(9-11)19(23)24/h1,3-4,6-7,9,20,22-24H,2,5,8,10H2/p-1.
What are the key properties of 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate?
2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate has a molecular weight of 329.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dihydroxyamino)phenyl]-3-hydroxy-6-[(2-oxopyrrolidin-1-yl)methyl]phenolate is sourced from PubChem (CID 58019979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).