ethyl 2-[(3R)-pyrrolidin-3-yl]acetate

C8H14NO2+ — CID 158754653

IUPACethyl 2-[(3R)-pyrrolidin-3-yl]acetate
SMILES[CH2+]COC(=O)C[C@H]1CCNC1
InChIInChI=1S/C8H14NO2/c1-2-11-8(10)5-7-3-4-9-6-7/h7,9H,1-6H2/q+1/t7-/m1/s1
InChIKeyDZNNQKAPUMAZOB-SSDOTTSWSA-N
MW156.20 g/mol
LogP0.36
Rot. Bonds3

About ethyl 2-[(3R)-pyrrolidin-3-yl]acetate

ethyl 2-[(3R)-pyrrolidin-3-yl]acetate (PubChem CID 158754653) has the molecular formula C8H14NO2+ and a molecular weight of 156.20 g/mol. Its IUPAC name is ethyl 2-[(3R)-pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3R)-pyrrolidin-3-yl]acetate
PubChem CID158754653
Molecular FormulaC8H14NO2+
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Nameethyl 2-[(3R)-pyrrolidin-3-yl]acetate
SMILES[CH2+]COC(=O)C[C@H]1CCNC1
InChIInChI=1S/C8H14NO2/c1-2-11-8(10)5-7-3-4-9-6-7/h7,9H,1-6H2/q+1/t7-/m1/s1
InChIKeyDZNNQKAPUMAZOB-SSDOTTSWSA-N
XLogP0.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-pyrrolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(3R)-pyrrolidin-3-yl]acetate (CID 158754653) is ethyl 2-[(3R)-pyrrolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(3R)-pyrrolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(3R)-pyrrolidin-3-yl]acetate is [CH2+]COC(=O)C[C@H]1CCNC1.
What is the InChIKey of ethyl 2-[(3R)-pyrrolidin-3-yl]acetate?
The InChIKey is DZNNQKAPUMAZOB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14NO2/c1-2-11-8(10)5-7-3-4-9-6-7/h7,9H,1-6H2/q+1/t7-/m1/s1.
What are the key properties of ethyl 2-[(3R)-pyrrolidin-3-yl]acetate?
ethyl 2-[(3R)-pyrrolidin-3-yl]acetate has a molecular weight of 156.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-pyrrolidin-3-yl]acetate is sourced from PubChem (CID 158754653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).