(2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide

C13H23N3O3 — CID 15138122

IUPAC(2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide
SMILESC/C(=N\O)C(=O)N[C@H](C(=O)N1CCCCC1)C(C)C
InChIInChI=1S/C13H23N3O3/c1-9(2)11(14-12(17)10(3)15-19)13(18)16-7-5-4-6-8-16/h9,11,19H,4-8H2,1-3H3,(H,14,17)/b15-10+/t11-/m0/s1
InChIKeyDWMJSCLTWOSLHM-KBVGCWLLSA-N
MW269.34 g/mol
LogP0.99
Rot. Bonds4

About (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide

(2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide (PubChem CID 15138122) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide
PubChem CID15138122
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide
SMILESC/C(=N\O)C(=O)N[C@H](C(=O)N1CCCCC1)C(C)C
InChIInChI=1S/C13H23N3O3/c1-9(2)11(14-12(17)10(3)15-19)13(18)16-7-5-4-6-8-16/h9,11,19H,4-8H2,1-3H3,(H,14,17)/b15-10+/t11-/m0/s1
InChIKeyDWMJSCLTWOSLHM-KBVGCWLLSA-N
XLogP0.99
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide?
The IUPAC name of (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide (CID 15138122) is (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide is C/C(=N\O)C(=O)N[C@H](C(=O)N1CCCCC1)C(C)C.
What is the InChIKey of (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide?
The InChIKey is DWMJSCLTWOSLHM-KBVGCWLLSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)11(14-12(17)10(3)15-19)13(18)16-7-5-4-6-8-16/h9,11,19H,4-8H2,1-3H3,(H,14,17)/b15-10+/t11-/m0/s1.
What are the key properties of (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide?
(2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide has a molecular weight of 269.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide is sourced from PubChem (CID 15138122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).