ethyl (2R)-1-ethylpyrrolidine-2-carboxylate

C9H17NO2 — CID 44630281

IUPACethyl (2R)-1-ethylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1CC
InChIInChI=1S/C9H17NO2/c1-3-10-7-5-6-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCUDOPASYFARLIF-MRVPVSSYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds3

About ethyl (2R)-1-ethylpyrrolidine-2-carboxylate

ethyl (2R)-1-ethylpyrrolidine-2-carboxylate (PubChem CID 44630281) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl (2R)-1-ethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-ethylpyrrolidine-2-carboxylate
PubChem CID44630281
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl (2R)-1-ethylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1CC
InChIInChI=1S/C9H17NO2/c1-3-10-7-5-6-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCUDOPASYFARLIF-MRVPVSSYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-ethylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-ethylpyrrolidine-2-carboxylate (CID 44630281) is ethyl (2R)-1-ethylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-ethylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-ethylpyrrolidine-2-carboxylate is CCOC(=O)[C@H]1CCCN1CC.
What is the InChIKey of ethyl (2R)-1-ethylpyrrolidine-2-carboxylate?
The InChIKey is CUDOPASYFARLIF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10-7-5-6-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of ethyl (2R)-1-ethylpyrrolidine-2-carboxylate?
ethyl (2R)-1-ethylpyrrolidine-2-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-ethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 44630281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).