1-piperidin-3-ylpyrrolidine-3-carboxylic acid

C10H18N2O2 — CID 53414007

IUPAC1-piperidin-3-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CCCNC2)C1
InChIInChI=1S/C10H18N2O2/c13-10(14)8-3-5-12(7-8)9-2-1-4-11-6-9/h8-9,11H,1-7H2,(H,13,14)
InChIKeyNSAGZMUTPGGYEQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.14
Rot. Bonds2

About 1-piperidin-3-ylpyrrolidine-3-carboxylic acid

1-piperidin-3-ylpyrrolidine-3-carboxylic acid (PubChem CID 53414007) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-piperidin-3-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-piperidin-3-ylpyrrolidine-3-carboxylic acid
PubChem CID53414007
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-piperidin-3-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CCCNC2)C1
InChIInChI=1S/C10H18N2O2/c13-10(14)8-3-5-12(7-8)9-2-1-4-11-6-9/h8-9,11H,1-7H2,(H,13,14)
InChIKeyNSAGZMUTPGGYEQ-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-piperidin-3-ylpyrrolidine-3-carboxylic acid (CID 53414007) is 1-piperidin-3-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-piperidin-3-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-piperidin-3-ylpyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C2CCCNC2)C1.
What is the InChIKey of 1-piperidin-3-ylpyrrolidine-3-carboxylic acid?
The InChIKey is NSAGZMUTPGGYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(14)8-3-5-12(7-8)9-2-1-4-11-6-9/h8-9,11H,1-7H2,(H,13,14).
What are the key properties of 1-piperidin-3-ylpyrrolidine-3-carboxylic acid?
1-piperidin-3-ylpyrrolidine-3-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 53414007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).