(2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate

C6H9NO2 — CID 26212537

IUPAC(2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate
SMILESO=C([O-])[C@H]1CC=CC[NH2+]1
InChIInChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9)/t5-/m1/s1
InChIKeyYCQPUTODZKESPK-RXMQYKEDSA-N
MW127.14 g/mol
LogP-2.37
Rot. Bonds1

About (2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate

(2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate (PubChem CID 26212537) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate.

Molecular Properties

Compound Name(2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate
PubChem CID26212537
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate
SMILESO=C([O-])[C@H]1CC=CC[NH2+]1
InChIInChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9)/t5-/m1/s1
InChIKeyYCQPUTODZKESPK-RXMQYKEDSA-N
XLogP-2.37
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-2.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylic acid chloride
CID 11768890
(2S)-azetidin-1-ium-2-carboxylate
CID 11862171
sodium;cyclohex-4-ene-1,2-dicarboxylate;hydron
CID 70591363
cadmium(2+);bis(cyclohex-3-ene-1-carboxylate)
CID 22604823
pyrrolidin-1-ium-2-carboxylate
CID 25246272
di(cyclopent-3-en-1-yl)methanone
CID 172856015
5-iodocyclohex-3-ene-1-carboxylate
CID 154609468
4-hydroxypyrrolidin-1-ium-2-carboxylate
CID 5238478
(2R,6S)-piperidin-1-ium-2,6-dicarboxylate
CID 86306397
(2R,4S)-4-fluoropyrrolidin-1-ium-2-carboxylate
CID 7023049
6-benzylcyclohex-3-ene-1-carboxylate
CID 78425420
1,2,3,6-tetrahydropyridin-1-ium acetate
CID 177225981

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate?
The IUPAC name of (2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate (CID 26212537) is (2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate.
What is the SMILES notation for (2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate?
The canonical SMILES for (2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate is O=C([O-])[C@H]1CC=CC[NH2+]1.
What is the InChIKey of (2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate?
The InChIKey is YCQPUTODZKESPK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate?
(2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate has a molecular weight of 127.14 g/mol, XLogP of -2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate is sourced from PubChem (CID 26212537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).