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

C8H16N4O2 — CID 106189619

IUPACN'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide
SMILESCC(CC(N)=NO)NC1CNC(=O)C1
InChIInChI=1S/C8H16N4O2/c1-5(2-7(9)12-14)11-6-3-8(13)10-4-6/h5-6,11,14H,2-4H2,1H3,(H2,9,12)(H,10,13)
InChIKeyUEDDLKVTQNPBPU-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.01
Rot. Bonds4

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

N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide (PubChem CID 106189619) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide
PubChem CID106189619
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC NameN'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide
SMILESCC(CC(N)=NO)NC1CNC(=O)C1
InChIInChI=1S/C8H16N4O2/c1-5(2-7(9)12-14)11-6-3-8(13)10-4-6/h5-6,11,14H,2-4H2,1H3,(H2,9,12)(H,10,13)
InChIKeyUEDDLKVTQNPBPU-UHFFFAOYSA-N
XLogP-1.01
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.01
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

3-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 105036476
4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one
CID 106189044
N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide
CID 103063282
4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one
CID 106184042
3-[(1,1-dioxothian-3-yl)amino]-N'-hydroxybutanimidamide
CID 77028702
N,N-diethyl-2-[(5-oxopyrrolidin-3-yl)amino]propanamide
CID 106188940
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
4-(1-cyclobutylethylamino)pyrrolidin-2-one
CID 130978828
4-(but-3-yn-2-ylamino)pyrrolidin-2-one
CID 106189245
2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
CID 106184659
tert-butyl 2-[2-[(5-oxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate
CID 106182504
N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 106187640

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide (CID 106189619) is N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide is CC(CC(N)=NO)NC1CNC(=O)C1.
What is the InChIKey of N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide?
The InChIKey is UEDDLKVTQNPBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-5(2-7(9)12-14)11-6-3-8(13)10-4-6/h5-6,11,14H,2-4H2,1H3,(H2,9,12)(H,10,13).
What are the key properties of N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide?
N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide has a molecular weight of 200.24 g/mol, XLogP of -1.01, 4 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]butanimidamide is sourced from PubChem (CID 106189619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).