4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid

C10H18N2O2 — CID 134227187

IUPAC4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid
SMILESNC/C=C/CC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H18N2O2/c11-6-2-1-3-9-4-7-12(8-5-9)10(13)14/h1-2,9H,3-8,11H2,(H,13,14)/b2-1+
InChIKeyLJKIHXLSDHJXSW-OWOJBTEDSA-N
MW198.27 g/mol
LogP1.28
Rot. Bonds3

About 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid

4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid (PubChem CID 134227187) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid
PubChem CID134227187
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid
SMILESNC/C=C/CC1CCN(C(=O)O)CC1
InChIInChI=1S/C10H18N2O2/c11-6-2-1-3-9-4-7-12(8-5-9)10(13)14/h1-2,9H,3-8,11H2,(H,13,14)/b2-1+
InChIKeyLJKIHXLSDHJXSW-OWOJBTEDSA-N
XLogP1.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid (CID 134227187) is 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid is NC/C=C/CC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid?
The InChIKey is LJKIHXLSDHJXSW-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-6-2-1-3-9-4-7-12(8-5-9)10(13)14/h1-2,9H,3-8,11H2,(H,13,14)/b2-1+.
What are the key properties of 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid?
4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 134227187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).