1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid

C13H23NO3 — CID 55165781

IUPAC1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCCC2O)C1
InChIInChI=1S/C13H23NO3/c1-2-6-13(12(16)17)7-8-14(9-13)10-4-3-5-11(10)15/h10-11,15H,2-9H2,1H3,(H,16,17)
InChIKeyHTVYIYACLKTWTC-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.48
Rot. Bonds4

About 1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55165781) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55165781
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCCC2O)C1
InChIInChI=1S/C13H23NO3/c1-2-6-13(12(16)17)7-8-14(9-13)10-4-3-5-11(10)15/h10-11,15H,2-9H2,1H3,(H,16,17)
InChIKeyHTVYIYACLKTWTC-UHFFFAOYSA-N
XLogP1.48
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068564
1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069035
1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid
CID 113483668
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65069095
1-(oxepan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65080564
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 65069192
1-(3-methyloxan-4-yl)-3-propylpiperidine-3-carboxylic acid
CID 114240734
1-(2,3-dihydro-1H-inden-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 65068501
1-(2,4-dimethylcyclohexyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064235
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid (CID 55165781) is 1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C2CCCC2O)C1.
What is the InChIKey of 1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is HTVYIYACLKTWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-6-13(12(16)17)7-8-14(9-13)10-4-3-5-11(10)15/h10-11,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55165781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).