4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid

C10H16N2O3 — CID 122454024

IUPAC4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid
SMILESO=C1NCCC1C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c13-9-8(1-4-11-9)7-2-5-12(6-3-7)10(14)15/h7-8H,1-6H2,(H,11,13)(H,14,15)
InChIKeyVBNLNMCGMZQNQW-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.51
Rot. Bonds1

About 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid

4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid (PubChem CID 122454024) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid
PubChem CID122454024
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid
SMILESO=C1NCCC1C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c13-9-8(1-4-11-9)7-2-5-12(6-3-7)10(14)15/h7-8H,1-6H2,(H,11,13)(H,14,15)
InChIKeyVBNLNMCGMZQNQW-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid (CID 122454024) is 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid is O=C1NCCC1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid?
The InChIKey is VBNLNMCGMZQNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-8(1-4-11-9)7-2-5-12(6-3-7)10(14)15/h7-8H,1-6H2,(H,11,13)(H,14,15).
What are the key properties of 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid?
4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 122454024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).