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

C12H22N2O2 — CID 117258254

IUPAC4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCCN1CCC(C2CCNC(C(=O)O)C2)C1
InChIInChI=1S/C12H22N2O2/c1-2-14-6-4-10(8-14)9-3-5-13-11(7-9)12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyFDRSNHBZWFZBGN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.78
Rot. Bonds3

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

4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid (PubChem CID 117258254) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid
PubChem CID117258254
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCCN1CCC(C2CCNC(C(=O)O)C2)C1
InChIInChI=1S/C12H22N2O2/c1-2-14-6-4-10(8-14)9-3-5-13-11(7-9)12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyFDRSNHBZWFZBGN-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid (CID 117258254) is 4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid is CCN1CCC(C2CCNC(C(=O)O)C2)C1.
What is the InChIKey of 4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
The InChIKey is FDRSNHBZWFZBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-14-6-4-10(8-14)9-3-5-13-11(7-9)12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16).
What are the key properties of 4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrrolidin-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 117258254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).