N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide

C12H23N3O2 — CID 54988121

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)C1CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-15(8-9(2)11(13)14-17)12(16)10-6-4-5-7-10/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyYHDZYWGKGAMZCV-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.41
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide (PubChem CID 54988121) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide
PubChem CID54988121
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)C1CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-15(8-9(2)11(13)14-17)12(16)10-6-4-5-7-10/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyYHDZYWGKGAMZCV-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
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-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide (CID 54988121) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide is CCN(CC(C)/C(N)=N/O)C(=O)C1CCCC1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide?
The InChIKey is YHDZYWGKGAMZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-15(8-9(2)11(13)14-17)12(16)10-6-4-5-7-10/h9-10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide is sourced from PubChem (CID 54988121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).