N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide

C12H23N3O2 — CID 77038103

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide
SMILESCCC(C)C(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-9(2)12(16)15(8-11(13)14-17)10-6-4-5-7-10/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyAPLUVADMNHGGMM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.55
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide (PubChem CID 77038103) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide
PubChem CID77038103
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide
SMILESCCC(C)C(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-9(2)12(16)15(8-11(13)14-17)10-6-4-5-7-10/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyAPLUVADMNHGGMM-UHFFFAOYSA-N
XLogP1.55
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
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-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide (CID 77038103) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide is CCC(C)C(=O)N(CC(N)=NO)C1CCCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide?
The InChIKey is APLUVADMNHGGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-9(2)12(16)15(8-11(13)14-17)10-6-4-5-7-10/h9-10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide is sourced from PubChem (CID 77038103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).