1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide

C12H15N3O4 — CID 114345186

IUPAC1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCN1C(=O)c1cccc(O)c1O
InChIInChI=1S/C12H15N3O4/c13-11(14-19)8-4-2-6-15(8)12(18)7-3-1-5-9(16)10(7)17/h1,3,5,8,16-17,19H,2,4,6H2,(H2,13,14)
InChIKeyKAZYRTYMTMZSSL-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.45
Rot. Bonds2

About 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide

1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 114345186) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID114345186
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCN1C(=O)c1cccc(O)c1O
InChIInChI=1S/C12H15N3O4/c13-11(14-19)8-4-2-6-15(8)12(18)7-3-1-5-9(16)10(7)17/h1,3,5,8,16-17,19H,2,4,6H2,(H2,13,14)
InChIKeyKAZYRTYMTMZSSL-UHFFFAOYSA-N
XLogP0.45
TPSA119.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide 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

(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide
CID 77036206
1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 107016253
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107730090
1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114375250
1-(1-benzothiophene-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036347
1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036430
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345040
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
2-[1-(2,3-dihydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 114343667
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide (CID 114345186) is 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide is N/C(=N/O)C1CCCN1C(=O)c1cccc(O)c1O.
What is the InChIKey of 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is KAZYRTYMTMZSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-11(14-19)8-4-2-6-15(8)12(18)7-3-1-5-9(16)10(7)17/h1,3,5,8,16-17,19H,2,4,6H2,(H2,13,14).
What are the key properties of 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 265.27 g/mol, XLogP of 0.45, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 114345186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).