3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide

C11H15FN4O3 — CID 106177135

IUPAC3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1cc(F)cc(/C(N)=N/O)c1
InChIInChI=1S/C11H15FN4O3/c12-8-2-6(1-7(3-8)10(13)16-19)4-15-5-9(17)11(14)18/h1-3,9,15,17,19H,4-5H2,(H2,13,16)(H2,14,18)
InChIKeyLEUUREMKNKDUFE-UHFFFAOYSA-N
MW270.26 g/mol
LogP-1.14
Rot. Bonds6

About 3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide

3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide (PubChem CID 106177135) has the molecular formula C11H15FN4O3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide
PubChem CID106177135
Molecular FormulaC11H15FN4O3
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1cc(F)cc(/C(N)=N/O)c1
InChIInChI=1S/C11H15FN4O3/c12-8-2-6(1-7(3-8)10(13)16-19)4-15-5-9(17)11(14)18/h1-3,9,15,17,19H,4-5H2,(H2,13,16)(H2,14,18)
InChIKeyLEUUREMKNKDUFE-UHFFFAOYSA-N
XLogP-1.14
TPSA133.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-1.14
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-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide
CID 106115552
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481
3-fluoro-N'-hydroxy-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzenecarboximidamide
CID 106350262
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
3-fluoro-N'-hydroxy-5-[(2-prop-2-ynylsulfanylethylamino)methyl]benzenecarboximidamide
CID 106429150
3-fluoro-N'-hydroxy-5-[(2-prop-2-enylsulfanylethylamino)methyl]benzenecarboximidamide
CID 106429105
3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171977
2-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]-N-methylacetamide
CID 114231754
3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106171518
3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272
methyl 3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 142582139
2-hydroxy-3-[(3-hydroxyphenyl)methylamino]propanamide
CID 106170564

Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide (CID 106177135) is 3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide is NC(=O)C(O)CNCc1cc(F)cc(/C(N)=N/O)c1.
What is the InChIKey of 3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide?
The InChIKey is LEUUREMKNKDUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3/c12-8-2-6(1-7(3-8)10(13)16-19)4-15-5-9(17)11(14)18/h1-3,9,15,17,19H,4-5H2,(H2,13,16)(H2,14,18).
What are the key properties of 3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide?
3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide has a molecular weight of 270.26 g/mol, XLogP of -1.14, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106177135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).