4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid

C10H17N3O4 — CID 88867711

IUPAC4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid
SMILESCC(=O)O/N=C(/N)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H17N3O4/c1-7(14)17-12-9(11)6-8-2-4-13(5-3-8)10(15)16/h8H,2-6H2,1H3,(H2,11,12)(H,15,16)
InChIKeyOLXPFKXIBDHTHF-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.60
Rot. Bonds3

About 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid

4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid (PubChem CID 88867711) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid
PubChem CID88867711
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid
SMILESCC(=O)O/N=C(/N)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H17N3O4/c1-7(14)17-12-9(11)6-8-2-4-13(5-3-8)10(15)16/h8H,2-6H2,1H3,(H2,11,12)(H,15,16)
InChIKeyOLXPFKXIBDHTHF-UHFFFAOYSA-N
XLogP0.60
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.60
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_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid 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 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid (CID 88867711) is 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid is CC(=O)O/N=C(/N)CC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid?
The InChIKey is OLXPFKXIBDHTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-7(14)17-12-9(11)6-8-2-4-13(5-3-8)10(15)16/h8H,2-6H2,1H3,(H2,11,12)(H,15,16).
What are the key properties of 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid?
4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-acetyloxyimino-2-aminoethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 88867711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).