ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate

C13H24N2O2 — CID 55140633

IUPACethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate
SMILESCCCNC1(C(=O)OCC)CCN(C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-3-8-14-13(12(16)17-4-2)7-9-15(10-13)11-5-6-11/h11,14H,3-10H2,1-2H3
InChIKeyALQIOQNCOMPEFS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds6

About ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate

ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate (PubChem CID 55140633) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate
PubChem CID55140633
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate
SMILESCCCNC1(C(=O)OCC)CCN(C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-3-8-14-13(12(16)17-4-2)7-9-15(10-13)11-5-6-11/h11,14H,3-10H2,1-2H3
InChIKeyALQIOQNCOMPEFS-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate (CID 55140633) is ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate is CCCNC1(C(=O)OCC)CCN(C2CC2)C1.
What is the InChIKey of ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate?
The InChIKey is ALQIOQNCOMPEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-8-14-13(12(16)17-4-2)7-9-15(10-13)11-5-6-11/h11,14H,3-10H2,1-2H3.
What are the key properties of ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate?
ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 55140633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).