2-prop-2-enylpiperidine-1,2-dicarboxylic acid

C10H15NO4 — CID 19808305

IUPAC2-prop-2-enylpiperidine-1,2-dicarboxylic acid
SMILESC=CCC1(C(=O)O)CCCCN1C(=O)O
InChIInChI=1S/C10H15NO4/c1-2-5-10(8(12)13)6-3-4-7-11(10)9(14)15/h2H,1,3-7H2,(H,12,13)(H,14,15)
InChIKeyVCXYXVDBSYQBPX-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.55
Rot. Bonds3

About 2-prop-2-enylpiperidine-1,2-dicarboxylic acid

2-prop-2-enylpiperidine-1,2-dicarboxylic acid (PubChem CID 19808305) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-prop-2-enylpiperidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name2-prop-2-enylpiperidine-1,2-dicarboxylic acid
PubChem CID19808305
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-prop-2-enylpiperidine-1,2-dicarboxylic acid
SMILESC=CCC1(C(=O)O)CCCCN1C(=O)O
InChIInChI=1S/C10H15NO4/c1-2-5-10(8(12)13)6-3-4-7-11(10)9(14)15/h2H,1,3-7H2,(H,12,13)(H,14,15)
InChIKeyVCXYXVDBSYQBPX-UHFFFAOYSA-N
XLogP1.55
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.55
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 2-prop-2-enylpiperidine-1,2-dicarboxylic acid?
The IUPAC name of 2-prop-2-enylpiperidine-1,2-dicarboxylic acid (CID 19808305) is 2-prop-2-enylpiperidine-1,2-dicarboxylic acid.
What is the SMILES notation for 2-prop-2-enylpiperidine-1,2-dicarboxylic acid?
The canonical SMILES for 2-prop-2-enylpiperidine-1,2-dicarboxylic acid is C=CCC1(C(=O)O)CCCCN1C(=O)O.
What is the InChIKey of 2-prop-2-enylpiperidine-1,2-dicarboxylic acid?
The InChIKey is VCXYXVDBSYQBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-5-10(8(12)13)6-3-4-7-11(10)9(14)15/h2H,1,3-7H2,(H,12,13)(H,14,15).
What are the key properties of 2-prop-2-enylpiperidine-1,2-dicarboxylic acid?
2-prop-2-enylpiperidine-1,2-dicarboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpiperidine-1,2-dicarboxylic acid is sourced from PubChem (CID 19808305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).