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

C8H15N3O4 — CID 106670932

IUPAC3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CC(O)C(O)C1)C(N)=NO
InChIInChI=1S/C8H15N3O4/c1-4(7(9)10-15)8(14)11-2-5(12)6(13)3-11/h4-6,12-13,15H,2-3H2,1H3,(H2,9,10)
InChIKeyJPRVYYQTZGQYQJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP-2.07
Rot. Bonds2

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

3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide (PubChem CID 106670932) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
PubChem CID106670932
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CC(O)C(O)C1)C(N)=NO
InChIInChI=1S/C8H15N3O4/c1-4(7(9)10-15)8(14)11-2-5(12)6(13)3-11/h4-6,12-13,15H,2-3H2,1H3,(H2,9,10)
InChIKeyJPRVYYQTZGQYQJ-UHFFFAOYSA-N
XLogP-2.07
TPSA119.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-2.07
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-Hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 123965943
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 62941218
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
CID 62941770
3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 76911313
3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylpropanamide
CID 76923602
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
CID 76923603
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
CID 76923647
3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide
CID 76940125
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 76981264
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide
CID 76981269
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
CID 76981284
N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
CID 76981285

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide (CID 106670932) is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide is CC(C(=O)N1CC(O)C(O)C1)C(N)=NO.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide?
The InChIKey is JPRVYYQTZGQYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-4(7(9)10-15)8(14)11-2-5(12)6(13)3-11/h4-6,12-13,15H,2-3H2,1H3,(H2,9,10).
What are the key properties of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide?
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide has a molecular weight of 217.22 g/mol, XLogP of -2.07, 2 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-methyl-3-oxopropanimidamide is sourced from PubChem (CID 106670932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).