N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide

C12H23N3O2 — CID 77015707

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-7(2)8(3)12(16)14-10-6-4-5-9(10)11(13)15-17/h7-10,17H,4-6H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyNJKWFYHUVPFGTN-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.31
Rot. Bonds4

About N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide (PubChem CID 77015707) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide
PubChem CID77015707
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-7(2)8(3)12(16)14-10-6-4-5-9(10)11(13)15-17/h7-10,17H,4-6H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyNJKWFYHUVPFGTN-UHFFFAOYSA-N
XLogP1.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.31
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]-2,3-dimethylbutanamide 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-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide
CID 76978469
[2-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]carbamic acid
CID 138597727
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 64815182
2-cyclopropyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76978603
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79161257
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
CID 79163497
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide
CID 77015041
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide
CID 79155291
2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 77053196
2-(2-cyclopropylpropanoylamino)cyclopentane-1-carboxylic acid
CID 83146564
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide (CID 77015707) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide?
The InChIKey is NJKWFYHUVPFGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-7(2)8(3)12(16)14-10-6-4-5-9(10)11(13)15-17/h7-10,17H,4-6H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 1.31, 4 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]-2,3-dimethylbutanamide is sourced from PubChem (CID 77015707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).