(2S)-1-methylpiperidin-1-ium-2-carboxylate

C7H13NO2 — CID 6993265

IUPAC(2S)-1-methylpiperidin-1-ium-2-carboxylate
SMILESC[NH+]1CCCC[C@H]1C(=O)[O-]
InChIInChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyBPSLZWSRHTULGU-LURJTMIESA-N
MW143.19 g/mol
LogP-2.20
Rot. Bonds1

About (2S)-1-methylpiperidin-1-ium-2-carboxylate

(2S)-1-methylpiperidin-1-ium-2-carboxylate (PubChem CID 6993265) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-1-methylpiperidin-1-ium-2-carboxylate.

Molecular Properties

Compound Name(2S)-1-methylpiperidin-1-ium-2-carboxylate
PubChem CID6993265
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2S)-1-methylpiperidin-1-ium-2-carboxylate
SMILESC[NH+]1CCCC[C@H]1C(=O)[O-]
InChIInChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyBPSLZWSRHTULGU-LURJTMIESA-N
XLogP-2.20
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylpiperidin-1-ium-2-carboxylate?
The IUPAC name of (2S)-1-methylpiperidin-1-ium-2-carboxylate (CID 6993265) is (2S)-1-methylpiperidin-1-ium-2-carboxylate.
What is the SMILES notation for (2S)-1-methylpiperidin-1-ium-2-carboxylate?
The canonical SMILES for (2S)-1-methylpiperidin-1-ium-2-carboxylate is C[NH+]1CCCC[C@H]1C(=O)[O-].
What is the InChIKey of (2S)-1-methylpiperidin-1-ium-2-carboxylate?
The InChIKey is BPSLZWSRHTULGU-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-1-methylpiperidin-1-ium-2-carboxylate?
(2S)-1-methylpiperidin-1-ium-2-carboxylate has a molecular weight of 143.19 g/mol, XLogP of -2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylpiperidin-1-ium-2-carboxylate is sourced from PubChem (CID 6993265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).