(2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid

C6H9NO2 — CID 24771808

IUPAC(2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC=N1
InChIInChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/t5-/m0/s1
InChIKeyCSDPVAKVEWETFG-YFKPBYRVSA-N
MW127.14 g/mol
LogP0.69
Rot. Bonds1

About (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid

(2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid (PubChem CID 24771808) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid
PubChem CID24771808
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC=N1
InChIInChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/t5-/m0/s1
InChIKeyCSDPVAKVEWETFG-YFKPBYRVSA-N
XLogP0.69
TPSA49.66 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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid?
The IUPAC name of (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid (CID 24771808) is (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid.
What is the SMILES notation for (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid?
The canonical SMILES for (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid is O=C(O)[C@@H]1CCCC=N1.
What is the InChIKey of (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid?
The InChIKey is CSDPVAKVEWETFG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid?
(2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid is sourced from PubChem (CID 24771808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).