[2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid

C8H14NO7P — CID 23174883

IUPAC[2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid
SMILESO=C(O)OC1NCCCC1C(=O)CP(=O)(O)O
InChIInChI=1S/C8H14NO7P/c10-6(4-17(13,14)15)5-2-1-3-9-7(5)16-8(11)12/h5,7,9H,1-4H2,(H,11,12)(H2,13,14,15)
InChIKeyFHUIWERTSRYOBI-UHFFFAOYSA-N
MW267.17 g/mol
LogP-0.25
Rot. Bonds4

About [2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid

[2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid (PubChem CID 23174883) has the molecular formula C8H14NO7P and a molecular weight of 267.17 g/mol. Its IUPAC name is [2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid
PubChem CID23174883
Molecular FormulaC8H14NO7P
Molecular Weight267.17 g/mol
Exact Mass267.05
IUPAC Name[2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid
SMILESO=C(O)OC1NCCCC1C(=O)CP(=O)(O)O
InChIInChI=1S/C8H14NO7P/c10-6(4-17(13,14)15)5-2-1-3-9-7(5)16-8(11)12/h5,7,9H,1-4H2,(H,11,12)(H2,13,14,15)
InChIKeyFHUIWERTSRYOBI-UHFFFAOYSA-N
XLogP-0.25
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid?
The IUPAC name of [2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid (CID 23174883) is [2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid?
The canonical SMILES for [2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid is O=C(O)OC1NCCCC1C(=O)CP(=O)(O)O.
What is the InChIKey of [2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid?
The InChIKey is FHUIWERTSRYOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO7P/c10-6(4-17(13,14)15)5-2-1-3-9-7(5)16-8(11)12/h5,7,9H,1-4H2,(H,11,12)(H2,13,14,15).
What are the key properties of [2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid?
[2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid has a molecular weight of 267.17 g/mol, XLogP of -0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carboxyoxypiperidin-3-yl)-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 23174883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).