(3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid

C15H23NO3 — CID 97153435

IUPAC(3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCN(C(=O)CC2CCC2)C1
InChIInChI=1S/C15H23NO3/c1-2-7-15(14(18)19)8-4-9-16(11-15)13(17)10-12-5-3-6-12/h2,12H,1,3-11H2,(H,18,19)/t15-/m0/s1
InChIKeyOCMZDYANUOMSIZ-HNNXBMFYSA-N
MW265.35 g/mol
LogP2.45
Rot. Bonds5

About (3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid

(3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid (PubChem CID 97153435) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid
PubChem CID97153435
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCN(C(=O)CC2CCC2)C1
InChIInChI=1S/C15H23NO3/c1-2-7-15(14(18)19)8-4-9-16(11-15)13(17)10-12-5-3-6-12/h2,12H,1,3-11H2,(H,18,19)/t15-/m0/s1
InChIKeyOCMZDYANUOMSIZ-HNNXBMFYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
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)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid (CID 97153435) is (3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid is C=CC[C@]1(C(=O)O)CCCN(C(=O)CC2CCC2)C1.
What is the InChIKey of (3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid?
The InChIKey is OCMZDYANUOMSIZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-7-15(14(18)19)8-4-9-16(11-15)13(17)10-12-5-3-6-12/h2,12H,1,3-11H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid?
(3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-cyclobutylacetyl)-3-prop-2-enylpiperidine-3-carboxylic acid is sourced from PubChem (CID 97153435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).