1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid

C12H20N2O4 — CID 57187392

IUPAC1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCN(N2CCCCC2C(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-4-7-13(8-5-9)14-6-2-1-3-10(14)12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKeySLATVPYCLUMZNE-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.64
Rot. Bonds3

About 1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid

1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid (PubChem CID 57187392) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid
PubChem CID57187392
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCN(N2CCCCC2C(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-4-7-13(8-5-9)14-6-2-1-3-10(14)12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKeySLATVPYCLUMZNE-UHFFFAOYSA-N
XLogP0.64
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-morpholin-4-ylpyrrolidine-2-carboxylic acid
CID 70469411
cyclopentanecarboxylic acid
CID 18840
(2R)-1-aminopiperidine-2-carboxylic acid
CID 92556917
1-piperidin-1-ylpyrrolidine-2-carboxamide
CID 70164844
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816
cyclohexanecarboxylic acid
CID 11286469
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392
2,3,4,6,7,8,9,10-octahydro-1H-pyridazino[1,2-a]diazepine-3-carboxylic acid
CID 135290361
(2R,4S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 174738513
hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462

Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid (CID 57187392) is 1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid is O=C(O)C1CCN(N2CCCCC2C(=O)O)CC1.
What is the InChIKey of 1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid?
The InChIKey is SLATVPYCLUMZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(16)9-4-7-13(8-5-9)14-6-2-1-3-10(14)12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid?
1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxypiperidin-1-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 57187392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).