N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide

C12H19N5O2 — CID 107974303

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(CC(N)=NO)C2CCCC2)c1
InChIInChI=1S/C12H19N5O2/c1-16-6-10(14-8-16)12(18)17(7-11(13)15-19)9-4-2-3-5-9/h6,8-9,19H,2-5,7H2,1H3,(H2,13,15)
InChIKeyJCELYGFWFOUGRC-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.55
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide (PubChem CID 107974303) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
PubChem CID107974303
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(CC(N)=NO)C2CCCC2)c1
InChIInChI=1S/C12H19N5O2/c1-16-6-10(14-8-16)12(18)17(7-11(13)15-19)9-4-2-3-5-9/h6,8-9,19H,2-5,7H2,1H3,(H2,13,15)
InChIKeyJCELYGFWFOUGRC-UHFFFAOYSA-N
XLogP0.55
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107970866
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide
CID 77044653
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922552
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-methylpyridine-4-carboxamide
CID 106753961
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113090
N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide
CID 107973411
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
CID 77038100
N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 66888537
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 107971834
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxypyridine-3-carboxamide
CID 77037925
cyclohexyl-(1-methylimidazol-4-yl)methanone
CID 107976351

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide (CID 107974303) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N(CC(N)=NO)C2CCCC2)c1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide?
The InChIKey is JCELYGFWFOUGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16-6-10(14-8-16)12(18)17(7-11(13)15-19)9-4-2-3-5-9/h6,8-9,19H,2-5,7H2,1H3,(H2,13,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107974303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).