N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide

C13H18N4O2 — CID 106189648

IUPACN'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNC1CNC(=O)C1)c1ccccc1
InChIInChI=1S/C13H18N4O2/c14-13(17-19)11(9-4-2-1-3-5-9)8-15-10-6-12(18)16-7-10/h1-5,10-11,15,19H,6-8H2,(H2,14,17)(H,16,18)
InChIKeyNYTIRLUZLNNZSY-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.01
Rot. Bonds5

About N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide

N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide (PubChem CID 106189648) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide
PubChem CID106189648
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNC1CNC(=O)C1)c1ccccc1
InChIInChI=1S/C13H18N4O2/c14-13(17-19)11(9-4-2-1-3-5-9)8-15-10-6-12(18)16-7-10/h1-5,10-11,15,19H,6-8H2,(H2,14,17)(H,16,18)
InChIKeyNYTIRLUZLNNZSY-UHFFFAOYSA-N
XLogP-0.01
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide
CID 80713268
3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide
CID 106186177
N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043729
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147
N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
CID 82728703
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one
CID 106189351
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide
CID 80719517
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one
CID 106189161
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide (CID 106189648) is N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide is N/C(=N/O)C(CNC1CNC(=O)C1)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide?
The InChIKey is NYTIRLUZLNNZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-13(17-19)11(9-4-2-1-3-5-9)8-15-10-6-12(18)16-7-10/h1-5,10-11,15,19H,6-8H2,(H2,14,17)(H,16,18).
What are the key properties of N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide has a molecular weight of 262.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 106189648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).