[(3S)-pyrrolidin-3-yl] acetate

C6H11NO2 — CID 15046661

IUPAC[(3S)-pyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CCNC1
InChIInChI=1S/C6H11NO2/c1-5(8)9-6-2-3-7-4-6/h6-7H,2-4H2,1H3/t6-/m0/s1
InChIKeyAKCMCFPQVUTWFW-LURJTMIESA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds1

About [(3S)-pyrrolidin-3-yl] acetate

[(3S)-pyrrolidin-3-yl] acetate (PubChem CID 15046661) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is [(3S)-pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-pyrrolidin-3-yl] acetate
PubChem CID15046661
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name[(3S)-pyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CCNC1
InChIInChI=1S/C6H11NO2/c1-5(8)9-6-2-3-7-4-6/h6-7H,2-4H2,1H3/t6-/m0/s1
InChIKeyAKCMCFPQVUTWFW-LURJTMIESA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-pyrrolidin-3-yl] acetate?
The IUPAC name of [(3S)-pyrrolidin-3-yl] acetate (CID 15046661) is [(3S)-pyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3S)-pyrrolidin-3-yl] acetate?
The canonical SMILES for [(3S)-pyrrolidin-3-yl] acetate is CC(=O)O[C@H]1CCNC1.
What is the InChIKey of [(3S)-pyrrolidin-3-yl] acetate?
The InChIKey is AKCMCFPQVUTWFW-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)9-6-2-3-7-4-6/h6-7H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of [(3S)-pyrrolidin-3-yl] acetate?
[(3S)-pyrrolidin-3-yl] acetate has a molecular weight of 129.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-pyrrolidin-3-yl] acetate is sourced from PubChem (CID 15046661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).