3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide

C8H17N3O3 — CID 106669733

IUPAC3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN1CC(O)C(O)C1)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-5(8(9)10-14)2-11-3-6(12)7(13)4-11/h5-7,12-14H,2-4H2,1H3,(H2,9,10)
InChIKeyGDLWNVZCKUVERB-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.59
Rot. Bonds3

About 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide

3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 106669733) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID106669733
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN1CC(O)C(O)C1)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-5(8(9)10-14)2-11-3-6(12)7(13)4-11/h5-7,12-14H,2-4H2,1H3,(H2,9,10)
InChIKeyGDLWNVZCKUVERB-UHFFFAOYSA-N
XLogP-1.59
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
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

3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide
CID 103369402
2-[(3,4-Dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 106669815
2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 113862564
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62941704
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62941707
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 62941886
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 62942069
3-(3-Hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylpropanimidamide
CID 76911080
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide
CID 76911161
N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]butanimidamide
CID 76911171
N'-hydroxy-3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide
CID 76939972

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide (CID 106669733) is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide is CC(CN1CC(O)C(O)C1)C(N)=NO.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is GDLWNVZCKUVERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-5(8(9)10-14)2-11-3-6(12)7(13)4-11/h5-7,12-14H,2-4H2,1H3,(H2,9,10).
What are the key properties of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 203.24 g/mol, XLogP of -1.59, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 106669733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).