2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid

C13H21NO2 — CID 122683243

IUPAC2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid
SMILESCC(C(=O)O)C1CCCC=C1N1CCCC1
InChIInChI=1S/C13H21NO2/c1-10(13(15)16)11-6-2-3-7-12(11)14-8-4-5-9-14/h7,10-11H,2-6,8-9H2,1H3,(H,15,16)
InChIKeyPPCUPZCZRATCLS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid

2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid (PubChem CID 122683243) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid
PubChem CID122683243
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid
SMILESCC(C(=O)O)C1CCCC=C1N1CCCC1
InChIInChI=1S/C13H21NO2/c1-10(13(15)16)11-6-2-3-7-12(11)14-8-4-5-9-14/h7,10-11H,2-6,8-9H2,1H3,(H,15,16)
InChIKeyPPCUPZCZRATCLS-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid?
The IUPAC name of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid (CID 122683243) is 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid?
The canonical SMILES for 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid is CC(C(=O)O)C1CCCC=C1N1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid?
The InChIKey is PPCUPZCZRATCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(13(15)16)11-6-2-3-7-12(11)14-8-4-5-9-14/h7,10-11H,2-6,8-9H2,1H3,(H,15,16).
What are the key properties of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid?
2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid has a molecular weight of 223.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)propanoic acid is sourced from PubChem (CID 122683243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).