4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid

C9H15NO3 — CID 68565971

IUPAC4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid
SMILESCC=CC1CC(O)CCN1C(=O)O
InChIInChI=1S/C9H15NO3/c1-2-3-7-6-8(11)4-5-10(7)9(12)13/h2-3,7-8,11H,4-6H2,1H3,(H,12,13)
InChIKeyHGVWPPHPPVBOCU-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.07
Rot. Bonds1

About 4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid

4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid (PubChem CID 68565971) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid
PubChem CID68565971
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid
SMILESCC=CC1CC(O)CCN1C(=O)O
InChIInChI=1S/C9H15NO3/c1-2-3-7-6-8(11)4-5-10(7)9(12)13/h2-3,7-8,11H,4-6H2,1H3,(H,12,13)
InChIKeyHGVWPPHPPVBOCU-UHFFFAOYSA-N
XLogP1.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.07
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-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid (CID 68565971) is 4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid is CC=CC1CC(O)CCN1C(=O)O.
What is the InChIKey of 4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid?
The InChIKey is HGVWPPHPPVBOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-3-7-6-8(11)4-5-10(7)9(12)13/h2-3,7-8,11H,4-6H2,1H3,(H,12,13).
What are the key properties of 4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid?
4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid is sourced from PubChem (CID 68565971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).