N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide

C13H19N3O3 — CID 77057586

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C(N)=NO)C2CC2)c1C
InChIInChI=1S/C13H19N3O3/c1-6-7(2)19-8(3)10(6)13(17)15-11(9-4-5-9)12(14)16-18/h9,11,18H,4-5H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyXJVZUJPVKDSVFS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.46
Rot. Bonds4

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 77057586) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID77057586
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C(N)=NO)C2CC2)c1C
InChIInChI=1S/C13H19N3O3/c1-6-7(2)19-8(3)10(6)13(17)15-11(9-4-5-9)12(14)16-18/h9,11,18H,4-5H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyXJVZUJPVKDSVFS-UHFFFAOYSA-N
XLogP1.46
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 81485921
N-(1-amino-1-hydroxyiminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 77057575
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-methylpyridine-2-carboxamide
CID 77038548
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromo-2-methylbenzamide
CID 77064909
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide
CID 77039310
N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide
CID 103121556
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide
CID 77060495
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methyltriazole-4-carboxamide
CID 112735699
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-(4-methylphenyl)propanamide
CID 77039299
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide
CID 77038556

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide (CID 77057586) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NC(C(N)=NO)C2CC2)c1C.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is XJVZUJPVKDSVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-6-7(2)19-8(3)10(6)13(17)15-11(9-4-5-9)12(14)16-18/h9,11,18H,4-5H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 77057586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).