N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide

C12H23N3O2 — CID 76978469

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-3-5-8(2)12(16)14-10-7-4-6-9(10)11(13)15-17/h8-10,17H,3-7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyMNQREYMYEUDTKY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.45
Rot. Bonds5

About N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide (PubChem CID 76978469) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide
PubChem CID76978469
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-3-5-8(2)12(16)14-10-7-4-6-9(10)11(13)15-17/h8-10,17H,3-7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyMNQREYMYEUDTKY-UHFFFAOYSA-N
XLogP1.45
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide 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

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
CID 76978522
N-(2-carbamothioylcyclopentyl)-2-methylpentanamide
CID 62956390
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide
CID 77015707
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
2-cyclopropyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76978603
N-cycloheptyl-2-methylpentanamide
CID 4532030
[2-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]carbamic acid
CID 138597727
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide
CID 77015041
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide
CID 76978990
2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978993
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide (CID 76978469) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide is CCCC(C)C(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide?
The InChIKey is MNQREYMYEUDTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-5-8(2)12(16)14-10-7-4-6-9(10)11(13)15-17/h8-10,17H,3-7H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide has a molecular weight of 241.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide is sourced from PubChem (CID 76978469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).