2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid

C12H16N2O4 — CID 112749081

IUPAC2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid
SMILESO=C(Cc1occc1C(=O)O)NN1CCCCC1
InChIInChI=1S/C12H16N2O4/c15-11(13-14-5-2-1-3-6-14)8-10-9(12(16)17)4-7-18-10/h4,7H,1-3,5-6,8H2,(H,13,15)(H,16,17)
InChIKeyLKVRCMJBDAISLC-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.04
Rot. Bonds4

About 2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid

2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid (PubChem CID 112749081) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid
PubChem CID112749081
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid
SMILESO=C(Cc1occc1C(=O)O)NN1CCCCC1
InChIInChI=1S/C12H16N2O4/c15-11(13-14-5-2-1-3-6-14)8-10-9(12(16)17)4-7-18-10/h4,7H,1-3,5-6,8H2,(H,13,15)(H,16,17)
InChIKeyLKVRCMJBDAISLC-UHFFFAOYSA-N
XLogP1.04
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid?
The IUPAC name of 2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid (CID 112749081) is 2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid is O=C(Cc1occc1C(=O)O)NN1CCCCC1.
What is the InChIKey of 2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid?
The InChIKey is LKVRCMJBDAISLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-11(13-14-5-2-1-3-6-14)8-10-9(12(16)17)4-7-18-10/h4,7H,1-3,5-6,8H2,(H,13,15)(H,16,17).
What are the key properties of 2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid?
2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid is sourced from PubChem (CID 112749081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).