ethyl pyrrolidine-2-carboxylate

C7H13NO2 — CID 550673

IUPACethyl pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3
InChIKeyQPNJHVDIRZNKOX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds2

About ethyl pyrrolidine-2-carboxylate

ethyl pyrrolidine-2-carboxylate (PubChem CID 550673) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl pyrrolidine-2-carboxylate
PubChem CID550673
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3
InChIKeyQPNJHVDIRZNKOX-UHFFFAOYSA-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 pyrrolidine-2-carboxylate?
The IUPAC name of ethyl pyrrolidine-2-carboxylate (CID 550673) is ethyl pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1.
What is the InChIKey of ethyl pyrrolidine-2-carboxylate?
The InChIKey is QPNJHVDIRZNKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-10-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3.
What are the key properties of ethyl pyrrolidine-2-carboxylate?
ethyl 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 pyrrolidine-2-carboxylate is sourced from PubChem (CID 550673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).