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

C12H17N3O3 — CID 83023632

IUPAC1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NN1CCCCC1
InChIInChI=1S/C12H17N3O3/c16-11(13-15-7-2-1-3-8-15)9-14-6-4-5-10(14)12(17)18/h4-6H,1-3,7-9H2,(H,13,16)(H,17,18)
InChIKeyASDIWLJRBITKJF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.70
Rot. Bonds4

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

1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid (PubChem CID 83023632) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid
PubChem CID83023632
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NN1CCCCC1
InChIInChI=1S/C12H17N3O3/c16-11(13-15-7-2-1-3-8-15)9-14-6-4-5-10(14)12(17)18/h4-6H,1-3,7-9H2,(H,13,16)(H,17,18)
InChIKeyASDIWLJRBITKJF-UHFFFAOYSA-N
XLogP0.70
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid (CID 83023632) is 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid is O=C(Cn1cccc1C(=O)O)NN1CCCCC1.
What is the InChIKey of 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid?
The InChIKey is ASDIWLJRBITKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11(13-15-7-2-1-3-8-15)9-14-6-4-5-10(14)12(17)18/h4-6H,1-3,7-9H2,(H,13,16)(H,17,18).
What are the key properties of 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid?
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 83023632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).