3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide

C10H15N3O3 — CID 86661514

IUPAC3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(NCC(O)CO)c1
InChIInChI=1S/C10H15N3O3/c11-10(13-16)7-2-1-3-8(4-7)12-5-9(15)6-14/h1-4,9,12,14-16H,5-6H2,(H2,11,13)
InChIKeyOQOLFIHMILLDPI-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.45
Rot. Bonds5

About 3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide

3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide (PubChem CID 86661514) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide
PubChem CID86661514
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(NCC(O)CO)c1
InChIInChI=1S/C10H15N3O3/c11-10(13-16)7-2-1-3-8(4-7)12-5-9(15)6-14/h1-4,9,12,14-16H,5-6H2,(H2,11,13)
InChIKeyOQOLFIHMILLDPI-UHFFFAOYSA-N
XLogP-0.45
TPSA111.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(2,3-dihydroxypropylamino)phenyl]urea
CID 23202913
3-(3-methylanilino)propane-1,2-diol
CID 3016394
3-(3-methylsulfanylanilino)propane-1,2-diol
CID 76891537
N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide
CID 168594455
3-(tert-butylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77017191
3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide
CID 168597603
[3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone
CID 168593580
3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide
CID 168596635
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
CID 107811092
ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168597581
N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
CID 23592571
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015745

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide (CID 86661514) is 3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cccc(NCC(O)CO)c1.
What is the InChIKey of 3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is OQOLFIHMILLDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-10(13-16)7-2-1-3-8(4-7)12-5-9(15)6-14/h1-4,9,12,14-16H,5-6H2,(H2,11,13).
What are the key properties of 3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide?
3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 225.25 g/mol, XLogP of -0.45, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 86661514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).