2-methylidene-4-piperidin-1-ylbutanoic acid

C10H17NO2 — CID 23172597

IUPAC2-methylidene-4-piperidin-1-ylbutanoic acid
SMILESC=C(CCN1CCCCC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-9(10(12)13)5-8-11-6-3-2-4-7-11/h1-8H2,(H,12,13)
InChIKeyTXADEJPDPQEDHA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.50
Rot. Bonds4

About 2-methylidene-4-piperidin-1-ylbutanoic acid

2-methylidene-4-piperidin-1-ylbutanoic acid (PubChem CID 23172597) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methylidene-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-methylidene-4-piperidin-1-ylbutanoic acid
PubChem CID23172597
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methylidene-4-piperidin-1-ylbutanoic acid
SMILESC=C(CCN1CCCCC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-9(10(12)13)5-8-11-6-3-2-4-7-11/h1-8H2,(H,12,13)
InChIKeyTXADEJPDPQEDHA-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
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 2-methylidene-4-piperidin-1-ylbutanoic acid?
The IUPAC name of 2-methylidene-4-piperidin-1-ylbutanoic acid (CID 23172597) is 2-methylidene-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 2-methylidene-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for 2-methylidene-4-piperidin-1-ylbutanoic acid is C=C(CCN1CCCCC1)C(=O)O.
What is the InChIKey of 2-methylidene-4-piperidin-1-ylbutanoic acid?
The InChIKey is TXADEJPDPQEDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(10(12)13)5-8-11-6-3-2-4-7-11/h1-8H2,(H,12,13).
What are the key properties of 2-methylidene-4-piperidin-1-ylbutanoic acid?
2-methylidene-4-piperidin-1-ylbutanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 23172597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).