1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide

C13H22N4O3 — CID 106321114

IUPAC1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C2(C(N)=NO)CCC2)C1
InChIInChI=1S/C13H22N4O3/c1-12(10(18)15-2)6-7-17(8-12)11(19)13(4-3-5-13)9(14)16-20/h20H,3-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyQLXWQCCFXQQHLW-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.11
Rot. Bonds3

About 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321114) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321114
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C2(C(N)=NO)CCC2)C1
InChIInChI=1S/C13H22N4O3/c1-12(10(18)15-2)6-7-17(8-12)11(19)13(4-3-5-13)9(14)16-20/h20H,3-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyQLXWQCCFXQQHLW-UHFFFAOYSA-N
XLogP-0.11
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.11
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'}

Analyze 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
CID 77016550
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
1-[1-(aminomethyl)cyclohexanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318011
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321120
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 104874862
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594068
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide
CID 104876801
1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545

Frequently Asked Questions

What is the IUPAC name of 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321114) is 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)C2(C(N)=NO)CCC2)C1.
What is the InChIKey of 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is QLXWQCCFXQQHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-12(10(18)15-2)6-7-17(8-12)11(19)13(4-3-5-13)9(14)16-20/h20H,3-8H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).