(3S)-3-prop-2-enoxypiperidine-1-carboxylic acid

C9H15NO3 — CID 66896317

IUPAC(3S)-3-prop-2-enoxypiperidine-1-carboxylic acid
SMILESC=CCO[C@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-6-13-8-4-3-5-10(7-8)9(11)12/h2,8H,1,3-7H2,(H,11,12)/t8-/m0/s1
InChIKeyFMFOZIGFPUJGRL-QMMMGPOBSA-N
MW185.22 g/mol
LogP1.33
Rot. Bonds3

About (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid

(3S)-3-prop-2-enoxypiperidine-1-carboxylic acid (PubChem CID 66896317) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-prop-2-enoxypiperidine-1-carboxylic acid
PubChem CID66896317
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(3S)-3-prop-2-enoxypiperidine-1-carboxylic acid
SMILESC=CCO[C@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-6-13-8-4-3-5-10(7-8)9(11)12/h2,8H,1,3-7H2,(H,11,12)/t8-/m0/s1
InChIKeyFMFOZIGFPUJGRL-QMMMGPOBSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid 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 (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid?
The IUPAC name of (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid (CID 66896317) is (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid is C=CCO[C@H]1CCCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid?
The InChIKey is FMFOZIGFPUJGRL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-6-13-8-4-3-5-10(7-8)9(11)12/h2,8H,1,3-7H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid?
(3S)-3-prop-2-enoxypiperidine-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-prop-2-enoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 66896317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).