2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid

C15H23NO3 — CID 164634275

IUPAC2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCN1C(=O)CC1=CCCCC1
InChIInChI=1S/C15H23NO3/c17-14(10-12-6-2-1-3-7-12)16-9-5-4-8-13(16)11-15(18)19/h6,13H,1-5,7-11H2,(H,18,19)/t13-/m1/s1
InChIKeyLPVKIPIFFJZQBO-CYBMUJFWSA-N
MW265.35 g/mol
LogP2.73
Rot. Bonds4

About 2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid

2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid (PubChem CID 164634275) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid
PubChem CID164634275
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCN1C(=O)CC1=CCCCC1
InChIInChI=1S/C15H23NO3/c17-14(10-12-6-2-1-3-7-12)16-9-5-4-8-13(16)11-15(18)19/h6,13H,1-5,7-11H2,(H,18,19)/t13-/m1/s1
InChIKeyLPVKIPIFFJZQBO-CYBMUJFWSA-N
XLogP2.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.73
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 2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid (CID 164634275) is 2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid is O=C(O)C[C@H]1CCCCN1C(=O)CC1=CCCCC1.
What is the InChIKey of 2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid?
The InChIKey is LPVKIPIFFJZQBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(10-12-6-2-1-3-7-12)16-9-5-4-8-13(16)11-15(18)19/h6,13H,1-5,7-11H2,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid?
2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 164634275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).