ethyl (2R)-pyrrolidine-2-carboxylate

C7H13NO2 — CID 11499235

IUPACethyl (2R)-pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyQPNJHVDIRZNKOX-ZCFIWIBFSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds2

About ethyl (2R)-pyrrolidine-2-carboxylate

ethyl (2R)-pyrrolidine-2-carboxylate (PubChem CID 11499235) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl (2R)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-pyrrolidine-2-carboxylate
PubChem CID11499235
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl (2R)-pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyQPNJHVDIRZNKOX-ZCFIWIBFSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-pyrrolidine-2-carboxylate (CID 11499235) is ethyl (2R)-pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-pyrrolidine-2-carboxylate is CCOC(=O)[C@H]1CCCN1.
What is the InChIKey of ethyl (2R)-pyrrolidine-2-carboxylate?
The InChIKey is QPNJHVDIRZNKOX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-10-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of ethyl (2R)-pyrrolidine-2-carboxylate?
ethyl (2R)-pyrrolidine-2-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 11499235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).