N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide

C13H23N3O2 — CID 77039187

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
SMILESNC(=NO)C(NC(=O)C1CCCCCC1)C1CC1
InChIInChI=1S/C13H23N3O2/c14-12(16-18)11(9-7-8-9)15-13(17)10-5-3-1-2-4-6-10/h9-11,18H,1-8H2,(H2,14,16)(H,15,17)
InChIKeyVIGYICBAJQWSPB-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.60
Rot. Bonds4

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide (PubChem CID 77039187) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
PubChem CID77039187
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
SMILESNC(=NO)C(NC(=O)C1CCCCCC1)C1CC1
InChIInChI=1S/C13H23N3O2/c14-12(16-18)11(9-7-8-9)15-13(17)10-5-3-1-2-4-6-10/h9-11,18H,1-8H2,(H2,14,16)(H,15,17)
InChIKeyVIGYICBAJQWSPB-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.60
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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Related Compounds

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-tert-butylcyclohexane-1-carboxamide
CID 77039306
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide
CID 104979326
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)azepane-1-carboxamide
CID 79151860
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide
CID 77039367
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-methylcyclopentane-1-carboxamide
CID 107182710
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-butylcyclohexane-1-carboxamide
CID 77038788
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide
CID 77039310
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940415
2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
CID 104985748
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
CID 77039366

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide (CID 77039187) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide is NC(=NO)C(NC(=O)C1CCCCCC1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide?
The InChIKey is VIGYICBAJQWSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-12(16-18)11(9-7-8-9)15-13(17)10-5-3-1-2-4-6-10/h9-11,18H,1-8H2,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide is sourced from PubChem (CID 77039187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).