4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid

C8H15N3O3 — CID 87489787

IUPAC4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid
SMILESN/C(CC1CCN(C(=O)O)CC1)=N/O
InChIInChI=1S/C8H15N3O3/c9-7(10-14)5-6-1-3-11(4-2-6)8(12)13/h6,14H,1-5H2,(H2,9,10)(H,12,13)
InChIKeyKIBMFMLUTRFSDE-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.51
Rot. Bonds2

About 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid

4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid (PubChem CID 87489787) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid
PubChem CID87489787
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid
SMILESN/C(CC1CCN(C(=O)O)CC1)=N/O
InChIInChI=1S/C8H15N3O3/c9-7(10-14)5-6-1-3-11(4-2-6)8(12)13/h6,14H,1-5H2,(H2,9,10)(H,12,13)
InChIKeyKIBMFMLUTRFSDE-UHFFFAOYSA-N
XLogP0.51
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.51
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid (CID 87489787) is 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid is N/C(CC1CCN(C(=O)O)CC1)=N/O.
What is the InChIKey of 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid?
The InChIKey is KIBMFMLUTRFSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-7(10-14)5-6-1-3-11(4-2-6)8(12)13/h6,14H,1-5H2,(H2,9,10)(H,12,13).
What are the key properties of 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid?
4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid has a molecular weight of 201.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 87489787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).