4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid

C11H18N2O3 — CID 90460311

IUPAC4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid
SMILESC=CC(=O)NCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c1-2-10(14)12-6-3-9-4-7-13(8-5-9)11(15)16/h2,9H,1,3-8H2,(H,12,14)(H,15,16)
InChIKeyYITDXRDFMWKECS-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.07
Rot. Bonds4

About 4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid

4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid (PubChem CID 90460311) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid
PubChem CID90460311
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid
SMILESC=CC(=O)NCCC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c1-2-10(14)12-6-3-9-4-7-13(8-5-9)11(15)16/h2,9H,1,3-8H2,(H,12,14)(H,15,16)
InChIKeyYITDXRDFMWKECS-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid (CID 90460311) is 4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid is C=CC(=O)NCCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid?
The InChIKey is YITDXRDFMWKECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-10(14)12-6-3-9-4-7-13(8-5-9)11(15)16/h2,9H,1,3-8H2,(H,12,14)(H,15,16).
What are the key properties of 4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid?
4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90460311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).