N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide

C8H17N3O2 — CID 62941707

IUPACN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
SMILESCC(CN1CCC(O)C1)/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-6(8(9)10-13)4-11-3-2-7(12)5-11/h6-7,12-13H,2-5H2,1H3,(H2,9,10)
InChIKeyAMMJXMIROMEQDD-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.56
Rot. Bonds3

About N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide

N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide (PubChem CID 62941707) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
PubChem CID62941707
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
SMILESCC(CN1CCC(O)C1)/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-6(8(9)10-13)4-11-3-2-7(12)5-11/h6-7,12-13H,2-5H2,1H3,(H2,9,10)
InChIKeyAMMJXMIROMEQDD-UHFFFAOYSA-N
XLogP-0.56
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
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

3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide
CID 103369402
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxybutyl(methyl)amino]methyl]propanimidamide
CID 103370201
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypyrrolidin-1-yl)methyl]propanimidamide
CID 103534024
2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 113862564
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 60979981
3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61235605
N'-hydroxy-3-[2-hydroxyethyl(propyl)amino]-2-methylpropanimidamide
CID 61424627
3-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61446277
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62941704
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
CID 62941770
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 62941886
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62942068

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide (CID 62941707) is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide is CC(CN1CCC(O)C1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide?
The InChIKey is AMMJXMIROMEQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(8(9)10-13)4-11-3-2-7(12)5-11/h6-7,12-13H,2-5H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide?
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 62941707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).