propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate

C14H25NO2 — CID 61068973

IUPACpropan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CCCC1C1CCCC1
InChIInChI=1S/C14H25NO2/c1-11(2)17-14(16)10-15-9-5-8-13(15)12-6-3-4-7-12/h11-13H,3-10H2,1-2H3
InChIKeyKSXHIMSAMPSQKK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds4

About propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate

propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate (PubChem CID 61068973) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate
PubChem CID61068973
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namepropan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CCCC1C1CCCC1
InChIInChI=1S/C14H25NO2/c1-11(2)17-14(16)10-15-9-5-8-13(15)12-6-3-4-7-12/h11-13H,3-10H2,1-2H3
InChIKeyKSXHIMSAMPSQKK-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate (CID 61068973) is propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate is CC(C)OC(=O)CN1CCCC1C1CCCC1.
What is the InChIKey of propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate?
The InChIKey is KSXHIMSAMPSQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)17-14(16)10-15-9-5-8-13(15)12-6-3-4-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate?
propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate has a molecular weight of 239.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 61068973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).