N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide

C8H15N3O3 — CID 62941770

IUPACN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CCC(O)C1)/C(N)=N/O
InChIInChI=1S/C8H15N3O3/c1-5(7(9)10-14)8(13)11-3-2-6(12)4-11/h5-6,12,14H,2-4H2,1H3,(H2,9,10)
InChIKeyQPJVDXHXZUSDMV-UHFFFAOYSA-N
MW201.23 g/mol
LogP-1.04
Rot. Bonds2

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

N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide (PubChem CID 62941770) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
PubChem CID62941770
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CCC(O)C1)/C(N)=N/O
InChIInChI=1S/C8H15N3O3/c1-5(7(9)10-14)8(13)11-3-2-6(12)4-11/h5-6,12,14H,2-4H2,1H3,(H2,9,10)
InChIKeyQPJVDXHXZUSDMV-UHFFFAOYSA-N
XLogP-1.04
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.04
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-Hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 123965943
2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
CID 55132337
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-oxopropanimidamide
CID 62941218
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62941707
2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
CID 76209178
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-propylpropanamide
CID 76924675
3-amino-N-butyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
CID 76926407
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N,2-dimethylpropanamide
CID 76926550
3-amino-N-ethyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
CID 76926838
3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N,2-dimethylpropanamide
CID 76940125
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxypropyl)-N-methylbutanamide
CID 76940126
2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxypropyl)-N,3-dimethylbutanamide
CID 76940143

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide (CID 62941770) is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide is CC(C(=O)N1CCC(O)C1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide?
The InChIKey is QPJVDXHXZUSDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-5(7(9)10-14)8(13)11-3-2-6(12)4-11/h5-6,12,14H,2-4H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide?
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methyl-3-oxopropanimidamide has a molecular weight of 201.23 g/mol, XLogP of -1.04, 2 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-methyl-3-oxopropanimidamide is sourced from PubChem (CID 62941770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).