N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide

C8H15N3O3 — CID 77035994

IUPACN'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
SMILESCOCC(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C8H15N3O3/c1-14-5-7(12)11-4-2-3-6(11)8(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyYGDOYAVSFQGOMB-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.63
Rot. Bonds3

About N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide

N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide (PubChem CID 77035994) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
PubChem CID77035994
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC NameN'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
SMILESCOCC(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C8H15N3O3/c1-14-5-7(12)11-4-2-3-6(11)8(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyYGDOYAVSFQGOMB-UHFFFAOYSA-N
XLogP-0.63
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
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

N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368
N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide
CID 77036233
N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036265
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
N'-hydroxy-1-(3,4,4-trimethylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036440
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide
CID 77041611
(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 142833524
N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide
CID 77036177

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide (CID 77035994) is N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide is COCC(=O)N1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide?
The InChIKey is YGDOYAVSFQGOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-14-5-7(12)11-4-2-3-6(11)8(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide?
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide has a molecular weight of 201.23 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77035994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).