1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

C11H18N2O3 — CID 42958594

IUPAC1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(15)9-4-3-7-13(8-9)11(16)12-5-1-2-6-12/h9H,1-8H2,(H,14,15)
InChIKeyCSMCSYUVHXHTPJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.00
Rot. Bonds1

About 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 42958594) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID42958594
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(15)9-4-3-7-13(8-9)11(16)12-5-1-2-6-12/h9H,1-8H2,(H,14,15)
InChIKeyCSMCSYUVHXHTPJ-UHFFFAOYSA-N
XLogP1.00
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (CID 42958594) is 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is CSMCSYUVHXHTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(15)9-4-3-7-13(8-9)11(16)12-5-1-2-6-12/h9H,1-8H2,(H,14,15).
What are the key properties of 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 42958594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).