5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid

C12H18N2O4 — CID 57357510

IUPAC5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid
SMILESO=C(O)C1CCC(C2CCCC(C(=O)O)N2)=CN1
InChIInChI=1S/C12H18N2O4/c15-11(16)9-5-4-7(6-13-9)8-2-1-3-10(14-8)12(17)18/h6,8-10,13-14H,1-5H2,(H,15,16)(H,17,18)
InChIKeyFZNMMFIPIGBAJL-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.30
Rot. Bonds3

About 5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid

5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid (PubChem CID 57357510) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid
PubChem CID57357510
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid
SMILESO=C(O)C1CCC(C2CCCC(C(=O)O)N2)=CN1
InChIInChI=1S/C12H18N2O4/c15-11(16)9-5-4-7(6-13-9)8-2-1-3-10(14-8)12(17)18/h6,8-10,13-14H,1-5H2,(H,15,16)(H,17,18)
InChIKeyFZNMMFIPIGBAJL-UHFFFAOYSA-N
XLogP0.30
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylidenepiperidine-2-carboxylic acid
CID 91220064
(2R,6R)-4-methylidenepiperidine-2,6-dicarboxylic acid
CID 15713251
4-Butyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 18446394
4-Methylidenepiperidine-2,6-dicarboxylic acid
CID 19881331
8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid
CID 45274331
4-Methylidenepiperidine-2,6-dicarboxylic acid;hydrochloride
CID 67906856
(2S,5R)-5-ethylpiperidine-2-carboxylic acid;(2S)-5-methylidenepiperidine-2-carboxylic acid
CID 157514504
(2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid
CID 15713252
6-Prop-2-enylpiperidine-2-carboxylic acid
CID 21882482
6-Hept-6-enylpiperidine-2-carboxylic acid
CID 107010179
6-(2-Methylprop-2-enyl)piperidine-2-carboxylic acid
CID 112573996
6-(2-Methylidenebutyl)piperidine-2-carboxylic acid
CID 112574171

Frequently Asked Questions

What is the IUPAC name of 5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid?
The IUPAC name of 5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid (CID 57357510) is 5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid.
What is the SMILES notation for 5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid?
The canonical SMILES for 5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid is O=C(O)C1CCC(C2CCCC(C(=O)O)N2)=CN1.
What is the InChIKey of 5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid?
The InChIKey is FZNMMFIPIGBAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-11(16)9-5-4-7(6-13-9)8-2-1-3-10(14-8)12(17)18/h6,8-10,13-14H,1-5H2,(H,15,16)(H,17,18).
What are the key properties of 5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid?
5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid is sourced from PubChem (CID 57357510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).