propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate

C13H23NO2 — CID 171394210

IUPACpropan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)[C@]1(C2CCCC2)CCCN1
InChIInChI=1S/C13H23NO2/c1-10(2)16-12(15)13(8-5-9-14-13)11-6-3-4-7-11/h10-11,14H,3-9H2,1-2H3/t13-/m1/s1
InChIKeyKAYDSOYTUISPDL-CYBMUJFWSA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds3

About propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate

propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate (PubChem CID 171394210) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate
PubChem CID171394210
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namepropan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)[C@]1(C2CCCC2)CCCN1
InChIInChI=1S/C13H23NO2/c1-10(2)16-12(15)13(8-5-9-14-13)11-6-3-4-7-11/h10-11,14H,3-9H2,1-2H3/t13-/m1/s1
InChIKeyKAYDSOYTUISPDL-CYBMUJFWSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate (CID 171394210) is propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate is CC(C)OC(=O)[C@]1(C2CCCC2)CCCN1.
What is the InChIKey of propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate?
The InChIKey is KAYDSOYTUISPDL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)16-12(15)13(8-5-9-14-13)11-6-3-4-7-11/h10-11,14H,3-9H2,1-2H3/t13-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate?
propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-cyclopentylpyrrolidine-2-carboxylate is sourced from PubChem (CID 171394210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).