1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide

C13H24N4O3 — CID 106321120

IUPAC1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C(C(N)=NO)C(C)C)C1
InChIInChI=1S/C13H24N4O3/c1-8(2)9(10(14)16-20)11(18)17-6-5-13(3,7-17)12(19)15-4/h8-9,20H,5-7H2,1-4H3,(H2,14,16)(H,15,19)
InChIKeyXKDHYDDZLGRIOQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.01
Rot. Bonds4

About 1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321120) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321120
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C(C(N)=NO)C(C)C)C1
InChIInChI=1S/C13H24N4O3/c1-8(2)9(10(14)16-20)11(18)17-6-5-13(3,7-17)12(19)15-4/h8-9,20H,5-7H2,1-4H3,(H2,14,16)(H,15,19)
InChIKeyXKDHYDDZLGRIOQ-UHFFFAOYSA-N
XLogP-0.01
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.01
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-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-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

2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76981094
1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317997
1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321114
1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318225
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
1-(3-amino-2,2,3-trimethylbutanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318267
2-(2,2-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76987321
1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318151
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]piperidine-4-carboxamide
CID 76926780

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321120) is 1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)C(C(N)=NO)C(C)C)C1.
What is the InChIKey of 1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is XKDHYDDZLGRIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-8(2)9(10(14)16-20)11(18)17-6-5-13(3,7-17)12(19)15-4/h8-9,20H,5-7H2,1-4H3,(H2,14,16)(H,15,19).
What are the key properties of 1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).