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

C11H21N3O2 — CID 76978522

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-3-7(2)11(15)13-9-6-4-5-8(9)10(12)14-16/h7-9,16H,3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyFXJWFSLIFYUCID-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.06
Rot. Bonds4

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

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide (PubChem CID 76978522) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
PubChem CID76978522
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-3-7(2)11(15)13-9-6-4-5-8(9)10(12)14-16/h7-9,16H,3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyFXJWFSLIFYUCID-UHFFFAOYSA-N
XLogP1.06
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.06
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide (CID 76978522) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide is CCC(C)C(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide?
The InChIKey is FXJWFSLIFYUCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-7(2)11(15)13-9-6-4-5-8(9)10(12)14-16/h7-9,16H,3-6H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide has a molecular weight of 227.31 g/mol, XLogP of 1.06, 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-methylbutanamide is sourced from PubChem (CID 76978522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).