amino 2-methylpent-2-enoate;piperidine

C11H22N2O2 — CID 175574358

IUPACamino 2-methylpent-2-enoate;piperidine
SMILESC1CCNCC1.CCC=C(C)C(=O)ON
InChIInChI=1S/C6H11NO2.C5H11N/c1-3-4-5(2)6(8)9-7;1-2-4-6-5-3-1/h4H,3,7H2,1-2H3;6H,1-5H2
InChIKeyDJAJBSUXNGUNOP-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.52
Rot. Bonds2

About amino 2-methylpent-2-enoate;piperidine

amino 2-methylpent-2-enoate;piperidine (PubChem CID 175574358) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is amino 2-methylpent-2-enoate;piperidine.

Molecular Properties

Compound Nameamino 2-methylpent-2-enoate;piperidine
PubChem CID175574358
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameamino 2-methylpent-2-enoate;piperidine
SMILESC1CCNCC1.CCC=C(C)C(=O)ON
InChIInChI=1S/C6H11NO2.C5H11N/c1-3-4-5(2)6(8)9-7;1-2-4-6-5-3-1/h4H,3,7H2,1-2H3;6H,1-5H2
InChIKeyDJAJBSUXNGUNOP-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze amino 2-methylpent-2-enoate;piperidine 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 amino 2-methylpent-2-enoate;piperidine?
The IUPAC name of amino 2-methylpent-2-enoate;piperidine (CID 175574358) is amino 2-methylpent-2-enoate;piperidine.
What is the SMILES notation for amino 2-methylpent-2-enoate;piperidine?
The canonical SMILES for amino 2-methylpent-2-enoate;piperidine is C1CCNCC1.CCC=C(C)C(=O)ON.
What is the InChIKey of amino 2-methylpent-2-enoate;piperidine?
The InChIKey is DJAJBSUXNGUNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C5H11N/c1-3-4-5(2)6(8)9-7;1-2-4-6-5-3-1/h4H,3,7H2,1-2H3;6H,1-5H2.
What are the key properties of amino 2-methylpent-2-enoate;piperidine?
amino 2-methylpent-2-enoate;piperidine has a molecular weight of 214.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-methylpent-2-enoate;piperidine is sourced from PubChem (CID 175574358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).