N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide

C11H21N3O3 — CID 55172482

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
SMILESCOCCN(CC/C(N)=N/O)C(=O)C1CCC1
InChIInChI=1S/C11H21N3O3/c1-17-8-7-14(6-5-10(12)13-16)11(15)9-3-2-4-9/h9,16H,2-8H2,1H3,(H2,12,13)
InChIKeyJWNKGUCUZWLVKY-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.40
Rot. Bonds7

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide (PubChem CID 55172482) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
PubChem CID55172482
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
SMILESCOCCN(CC/C(N)=N/O)C(=O)C1CCC1
InChIInChI=1S/C11H21N3O3/c1-17-8-7-14(6-5-10(12)13-16)11(15)9-3-2-4-9/h9,16H,2-8H2,1H3,(H2,12,13)
InChIKeyJWNKGUCUZWLVKY-UHFFFAOYSA-N
XLogP0.40
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide (CID 55172482) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide is COCCN(CC/C(N)=N/O)C(=O)C1CCC1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
The InChIKey is JWNKGUCUZWLVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-17-8-7-14(6-5-10(12)13-16)11(15)9-3-2-4-9/h9,16H,2-8H2,1H3,(H2,12,13).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide has a molecular weight of 243.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)cyclobutanecarboxamide is sourced from PubChem (CID 55172482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).