(3R,4R)-3-ethenylpiperidine-4-carboxylic acid

C8H13NO2 — CID 134276044

IUPAC(3R,4R)-3-ethenylpiperidine-4-carboxylic acid
SMILESC=C[C@H]1CNCC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-6-5-9-4-3-7(6)8(10)11/h2,6-7,9H,1,3-5H2,(H,10,11)/t6-,7+/m0/s1
InChIKeyHPAVHUAAKINBRP-NKWVEPMBSA-N
MW155.20 g/mol
LogP0.48
Rot. Bonds2

About (3R,4R)-3-ethenylpiperidine-4-carboxylic acid

(3R,4R)-3-ethenylpiperidine-4-carboxylic acid (PubChem CID 134276044) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3R,4R)-3-ethenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-ethenylpiperidine-4-carboxylic acid
PubChem CID134276044
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3R,4R)-3-ethenylpiperidine-4-carboxylic acid
SMILESC=C[C@H]1CNCC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-6-5-9-4-3-7(6)8(10)11/h2,6-7,9H,1,3-5H2,(H,10,11)/t6-,7+/m0/s1
InChIKeyHPAVHUAAKINBRP-NKWVEPMBSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.48
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 (3R,4R)-3-ethenylpiperidine-4-carboxylic acid?
The IUPAC name of (3R,4R)-3-ethenylpiperidine-4-carboxylic acid (CID 134276044) is (3R,4R)-3-ethenylpiperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-ethenylpiperidine-4-carboxylic acid?
The canonical SMILES for (3R,4R)-3-ethenylpiperidine-4-carboxylic acid is C=C[C@H]1CNCC[C@H]1C(=O)O.
What is the InChIKey of (3R,4R)-3-ethenylpiperidine-4-carboxylic acid?
The InChIKey is HPAVHUAAKINBRP-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-6-5-9-4-3-7(6)8(10)11/h2,6-7,9H,1,3-5H2,(H,10,11)/t6-,7+/m0/s1.
What are the key properties of (3R,4R)-3-ethenylpiperidine-4-carboxylic acid?
(3R,4R)-3-ethenylpiperidine-4-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 134276044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).