(3S)-piperidin-1-ium-3-carboxylate

C6H11NO2 — CID 6575388

IUPAC(3S)-piperidin-1-ium-3-carboxylate
SMILESO=C([O-])[C@H]1CCC[NH2+]C1
InChIInChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyXJLSEXAGTJCILF-YFKPBYRVSA-N
MW129.16 g/mol
LogP-2.29
Rot. Bonds1

About (3S)-piperidin-1-ium-3-carboxylate

(3S)-piperidin-1-ium-3-carboxylate (PubChem CID 6575388) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3S)-piperidin-1-ium-3-carboxylate.

Molecular Properties

Compound Name(3S)-piperidin-1-ium-3-carboxylate
PubChem CID6575388
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3S)-piperidin-1-ium-3-carboxylate
SMILESO=C([O-])[C@H]1CCC[NH2+]C1
InChIInChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyXJLSEXAGTJCILF-YFKPBYRVSA-N
XLogP-2.29
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-2.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-piperidin-1-ium-3-carboxylate?
The IUPAC name of (3S)-piperidin-1-ium-3-carboxylate (CID 6575388) is (3S)-piperidin-1-ium-3-carboxylate.
What is the SMILES notation for (3S)-piperidin-1-ium-3-carboxylate?
The canonical SMILES for (3S)-piperidin-1-ium-3-carboxylate is O=C([O-])[C@H]1CCC[NH2+]C1.
What is the InChIKey of (3S)-piperidin-1-ium-3-carboxylate?
The InChIKey is XJLSEXAGTJCILF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1.
What are the key properties of (3S)-piperidin-1-ium-3-carboxylate?
(3S)-piperidin-1-ium-3-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-piperidin-1-ium-3-carboxylate is sourced from PubChem (CID 6575388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).