2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid

C12H19NO3 — CID 2837862

IUPAC2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C12H19NO3/c14-11(13-7-3-4-8-13)9-5-1-2-6-10(9)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyZOLDEFAIBWNKIN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds2

About 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid

2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 2837862) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID2837862
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C12H19NO3/c14-11(13-7-3-4-8-13)9-5-1-2-6-10(9)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyZOLDEFAIBWNKIN-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 2837862) is 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)N1CCCC1.
What is the InChIKey of 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is ZOLDEFAIBWNKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(13-7-3-4-8-13)9-5-1-2-6-10(9)12(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2837862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).